Cyclobutanamine hydrochloride
PubChem CID
12618374
Structure
Molecular Formula
Synonyms
- cyclobutanamine hydrochloride
- Cyclobutylamine hydrochloride
- 6291-01-6
- cyclobutanamine;hydrochloride
- Cyclobutylamine, HCl
Molecular Weight
107.58 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2007-02-08
- Modify:2025-01-11
Chemical Structure Depiction
3D Conformer of Parent
cyclobutanamine;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C4H9N.ClH/c5-4-2-1-3-4;/h4H,1-3,5H2;1H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
NFAZOGXQOWEWBM-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1CC(C1)N.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C4H10ClN
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- cyclobutanamine hydrochloride
- Cyclobutylamine hydrochloride
- 6291-01-6
- cyclobutanamine;hydrochloride
- Cyclobutylamine, HCl
- MFCD00034953
- Aminocyclobutane HCl
- Cyclobutanamine, hydrochloride
- Cyclobutanamine HCl
- SCHEMBL338818
- cyclobutylamine hydrochloric acid
- cyclobutylamine hydrochloride salt
- DTXSID80978697
- NSC4598
- Cyclobutylamine hydrochloride, 97%
- NSC-4598
- AKOS007929999
- BP-10291
- Cyclobutanamine--hydrogen chloride (1/1)
- SY013751
- CS-0006655
- EN300-72090
- F1967-9096
- Z1266823158
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
107.58 g/mol
Reference
Computed by PubChem 2.2 (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
1
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
107.0501770 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
107.0501770 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
26 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
6
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
30.6
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NFAZOGXQOWEWBM-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/Cyclobutanamine, hydrochloride (1:1)https://commonchemistry.cas.org/detail?cas_rn=6291-01-6
- 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 DSSToxCyclobutanamine--hydrogen chloride (1/1)https://comptox.epa.gov/dashboard/DTXSID80978697CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- SpectraBaseCYCLOBUTYLAMINE, HYDROCHLORIDEhttps://spectrabase.com/spectrum/3i48RnqR3cmCYCLOBUTYLAMINE, HYDROCHLORIDEhttps://spectrabase.com/spectrum/FdZt6eK7kUm
- WikidataCyclobutylamine hydrochloridehttps://www.wikidata.org/wiki/Q72459378
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389297825https://pubchem.ncbi.nlm.nih.gov/substance/389297825
CONTENTS