7-Azabicyclo[4.1.0]heptane

HCID 549240

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 286-18-0
Standard SMILES: C1CCC2NC2C1
InChIKey: DINLIZUFVHTMDX-UHFFFAOYSA-N
Molecular formula: C6H11N
Average molar mass: 97.16 g/mol
Monoisotopic mass: 97.08914935

Names & identifiers

Preferred name: 7-Azabicyclo[4.1.0]heptane
IUPAC: 7-azabicyclo[4.1.0]heptane
English name: 7-Aza-bicyclo[4.1.0]heptane
Molecular formula: C6H11N
Molecular weight: 97.16

Names & synonyms

7-Azabicyclo[4.1.0]heptane286-18-02,3-TetramethyleneaziridineDTXSID703384637-Azabicyclo(4.1.0)heptaneRefChem:310301DTXCID30289548831-308-0DINLIZUFVHTMDX-UHFFFAOYSA-N7-Aza-bicyclo[4.1.0]heptaneMFCD11858224SCHEMBL182968

Show more names

SCHEMBL759550AKOS006221002AT21517SY421887CS-0450615EN300-43895F772585

Database identifiers

CAS: 286-18-0
PubChem CID: 549240
DTXSID: DTXSID70338463
EC Number: 831-308-0
Nikkaji: J36.177A

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 21.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 70.2

Physicochemical properties

Melting point: 21 °C · 21°C
Boiling point: 171.72 °C · 171.72°C (rough estimate)
Density: 0.948 · 0.9480
refractive index: 1.444 · 1.4440 (estimate)
pka: 8.34 · 8.34±0.20(Predicted)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H314
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (50%)

Safety data

hs_code: 2933998090
Signal word: Danger
Symbol(GHS): GHS05,GHS06
Hazard statements: H301-H314
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501