3-Amino-2-hydroxybornane
PubChem CID
343146
Structure
Molecular Formula
Synonyms
- 3-amino-2-hydroxybornane
- 24054-01-1
- DTXSID10321819
- 3-Amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
- (1R)-3-endo-Aminoborneol
Molecular Weight
169.26 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
3-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C10H19NO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,12H,4-5,11H2,1-3H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
MDENRACGWNSYCU-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC1(C2CCC1(C(C2N)O)C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H19NO
Computed by PubChem 2.2 (PubChem release 2024.11.20)
24054-01-1
- 3-amino-2-hydroxybornane
- 24054-01-1
- DTXSID10321819
- 3-Amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
- (1R)-3-endo-Aminoborneol
- NSC382157
- SCHEMBL253323
- DTXCID10272938
- 1260636-36-9
- AKOS004120860
- AB71905
- AB71907
- NSC-382157
- SY345818
- NS00050867
- (1S,2S,3R,4S)-3-Amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
- (2R,3S)-3-AMINO-1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPTAN-2-OL
- (2S,3R)-3-AMINO-1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPTAN-2-OL
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
169.26 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
1.1
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
169.146664230 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
169.146664230 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
46.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
214
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
4
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 2019.01.04)
NIST Number
211106
Library
Main library
Total Peaks
117
m/z Top Peak
84
m/z 2nd Highest
56
m/z 3rd Highest
98
Thumbnail
NIST Number
6554
Library
Main library
Total Peaks
84
m/z Top Peak
84
m/z 2nd Highest
98
m/z 3rd Highest
56
Thumbnail
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
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=MDENRACGWNSYCU-UHFFFAOYSA-N
- 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-amino-2-hydroxybornanehttps://comptox.epa.gov/dashboard/DTXSID10321819
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law3-Amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olhttp://www.nist.gov/srd/nist1a.cfm
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata3-amino-2-hydroxybornanehttps://www.wikidata.org/wiki/Q82079959
- Wiley
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- PATENTSCOPE (WIPO)SID 388838319https://pubchem.ncbi.nlm.nih.gov/substance/388838319
CONTENTS