CAS 38932-71-7 1,1-Cyclobutanedimethanamine (HCID 432836)

Substructure search Find similar structures

Basic information

CAS: 38932-71-7
Standard SMILES: NCC1(CN)CCC1
InChIKey: OBEQILXWAPILBH-UHFFFAOYSA-N
Molecular formula: C6H14N2
Average molar mass: 114.19 g/mol
Monoisotopic mass: 114.11569845

Names & identifiers

Preferred name: 1,1-Cyclobutanedimethanamine
IUPAC: [1-(aminomethyl)cyclobutyl]methanamine
English name: 1,1-Cyclobutanebis(methanamine)
Molecular formula: C6H14N2
Molecular weight: 114.19

Names & synonyms

1,1-Cyclobutanedimethanamine38932-71-7RefChem:2134661,1-Cyclobutanedimethanamine (9CI)[1-(aminomethyl)cyclobutyl]methanaminecyclobutane-1,1-diyldimethanamine1-[1-(AMINOMETHYL)CYCLOBUTYL]METHANAMINE1,1-Di(aminomethyl)cyclobutane1,1-Cyclobutanebis(methanamine)MFCD19207703SCHEMBL4117794OBEQILXWAPILBH-UHFFFAOY

Show more names

1,1-Bis(aminomethyl)cyclobutaneC-(1-Aminomethyl-cyclobutyl)-methylamine

1,?1-?cyclobutanedimethana?mineOBEQILXWAPILBH-UHFFFAOYSA-NDTXSID001308441(Cyclobutane-1,1-diyl)dimethanamineAKOS006364735GS-2541PB42708CS-0052782

Database identifiers

CAS: 38932-71-7
PubChem CID: 432836
DTXSID: DTXSID001308441
Nikkaji: J48.582I

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 70.6

Physicochemical properties

Boiling point: 157 ℃ · 157℃
Density: 0.96 · 0.960
Flash point: 49 ℃ · 49℃
storage temp.: 0 · Store at 0-8 °C
pka: 10.57 · 10.57±0.29(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501