6,11-Dihydro-5H-dibenz[b,e]azepine

HCID 67974

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Basic information

CAS: 449-55-8
Standard SMILES: c1ccc2c(c1)CNc1ccccc1C2
InChIKey: YSHVGIKWUJCBLY-UHFFFAOYSA-N
Molecular formula: C14H13N
Average molar mass: 195.26 g/mol
Monoisotopic mass: 195.10479942

Names & identifiers

Preferred name: 6,11-Dihydro-5H-dibenz[b,e]azepine
IUPAC: 6,11-dihydro-5H-benzo[c][1]benzazepine
English name: 6,11-Dihydro-5H-dibenzo[b,e]azepine
Molecular formula: C14H13N
Molecular weight: 195.26

Names & synonyms

449-55-86,11-dihydro-5H-dibenz[b,e]azepine6,11-Dihydro-5H-dibenz(b,e)azepineEINECS 207-188-5DTXSID20196333NSC 88887RefChem:103698DTXCID30118824207-188-56,11-Dihydro-5H-dibenzo[b,E]azepine6,11-dihydro-5H-benzo[c][1]benzazepineMFCD03723999

Show more names

5H-Dibenz[b,e]azepine, 6,11-dihydro-Dibenz[b,e]azepin, 5,6(11H)dihydro-dibenzoazepinNSC88887BAS 01952470MLS000074137SCHEMBL2086425SCHEMBL2087881

Database identifiers

CAS: 449-55-8
PubChem CID: 67974
DTXSID: DTXSID20196333
ChEMBL: CHEMBL1571106
EC Number: 207-188-5
Nikkaji: J196.147K

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 213

Experimental & physicochemical properties

LogP2.9

Physicochemical properties

Melting point: 129 · 129-130 °C
Boiling point: 351.4 · 351.4±32.0 °C(Predicted)
Density: 1.085 · 1.085±0.06 g/cm3(Predicted)
pka: 4 · 4+-.0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362