3-Acetyl-9-methylcarbazole
PubChem CID
274869
Structure
Molecular Formula
Synonyms
- 1484-05-5
- 3-Acetyl-9-methylcarbazole
- 1-(9-Methyl-9H-carbazol-3-yl)ethanone
- 1-(9-Methyl-9H-carbazol-3-yl)-ethanone
- 1-(9-methylcarbazol-3-yl)ethanone
Molecular Weight
223.27 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-26
- Modify:2024-12-28
Chemical Structure Depiction
1-(9-methylcarbazol-3-yl)ethanone
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C15H13NO/c1-10(17)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16(15)2/h3-9H,1-2H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
RMOVJQZTZDJESW-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C32)C
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C15H13NO
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- 1484-05-5
- 3-Acetyl-9-methylcarbazole
- 1-(9-Methyl-9H-carbazol-3-yl)ethanone
- 1-(9-Methyl-9H-carbazol-3-yl)-ethanone
- 1-(9-methylcarbazol-3-yl)ethanone
- 1-(9-methyl-9H-carbazol-3-yl)ethan-1-one
- NSC121198
- CBMicro_003619
- Cambridge id 5100177
- SCHEMBL2026269
- DTXSID80298160
- RMOVJQZTZDJESW-UHFFFAOYSA-N
- SMSF0003185
- MFCD00814784
- AKOS001689983
- CB05379
- NSC 121198
- NSC-121198
- BIM-0003522.P001
- 1-(9-methyl-9 h-carbazol-3-yl)-ethanone
- 1-(9-Methyl-9H-carbazol-3-yl)ethanone #
- DB-042932
- Q63399330
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
223.27 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
3
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
223.099714038 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
223.099714038 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
22Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
314
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
MoNA ID
MS Category
Experimental
MS Type
GC-MS
MS Level
MS1
Instrument
MX-1303
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks
208 99.99
223 77.80
180 33.30
209 22.20
152 19.80
License
CC BY-NC-SA
NIST Number
71398
Library
Main library
Total Peaks
40
m/z Top Peak
208
m/z 2nd Highest
223
m/z 3rd Highest
180
Thumbnail
Accession ID
Authors
SASAKI S, TOYOHASHI UNIV. OF TECH.
Instrument
MX-1303
Instrument Type
EI-B
MS Level
MS
Ionization Mode
POSITIVE
Ionization
ENERGY 50 eV
Top 5 Peaks
208 999
223 778
180 333
209 222
152 198
License
CC BY-NC-SA
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=RMOVJQZTZDJESW-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1-(9-Methyl-9H-carbazol-3-yl)ethanonehttps://commonchemistry.cas.org/detail?cas_rn=1484-05-5
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox3-Acetyl-9-methylcarbazolehttps://comptox.epa.gov/dashboard/DTXSID80298160CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- MassBank Europe3-ACETYL-9-METHYLCARBAZOLEhttps://massbank.eu/MassBank/Result.jsp?inchikey=RMOVJQZTZDJESW-UHFFFAOYSA-N
- MassBank of North America (MoNA)LICENSEThe content of the MoNA database is licensed under CC BY 4.0.https://mona.fiehnlab.ucdavis.edu/documentation/license
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law3-Acetyl-9-methylcarbazolehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase3-Acetyl-9-methylcarbazolehttps://spectrabase.com/spectrum/9ZrFLEsOfub3-Acetyl-9-methylcarbazolehttps://spectrabase.com/spectrum/46aT9MVQqtU
- Springer Nature
- Wikidata1-(9-methylcarbazol-3-yl)ethanonehttps://www.wikidata.org/wiki/Q63399330
- PubChem
- PATENTSCOPE (WIPO)SID 403253722https://pubchem.ncbi.nlm.nih.gov/substance/403253722
CONTENTS