5H-Dibenz(c,e)azepine, 6-allyl-6,7-dihydro-3,9-dichloro-

HCID 45440

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Basic information

CAS: 63918-66-1
Standard SMILES: C=CCN1Cc2cc(Cl)ccc2-c2ccc(Cl)cc2C1
InChIKey: KMAVLDDABBYQQM-UHFFFAOYSA-N
Molecular formula: C17H15Cl2N
Average molar mass: 304.2 g/mol
Monoisotopic mass: 303.0581549

Names & identifiers

Preferred name: 5H-Dibenz(c,e)azepine, 6-allyl-6,7-dihydro-3,9-dichloro-
IUPAC: 3,9-dichloro-6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
English name: 6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz[c,e]azepine
Molecular formula: C17H15Cl2N
Molecular weight: 304.21

Names & synonyms

63918-66-1Ro 2-41065H-DIBENZ(c,e)AZEPINE, 6-ALLYL-6,7-DIHYDRO-3,9-DICHLORO-5H-Dibenz(c,e)azepine, 6,7-dihydro-6-allyl-3,9-dichloro-6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz(c,e)azepineDTXSID302137026-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz[c,e]azepineRefChem:305466DTXCID20136193DB-3179493,9-dichloro-6-(prop-2-en-1-yl)-6,7-dihydro-5H-dibenzo[c,e]azepineRo-2-4106

Show more names

5H-Dibenz[c,e]azepine, 3,9-dichloro-6,7-dihydro-6-(2-propen-1-yl)-

Database identifiers

CAS: 63918-66-1
PubChem CID: 45440
DTXSID: DTXSID30213702
Nikkaji: J72.758J

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 318

Physicochemical properties

Boiling point: 458.54 °C · 458.54°C (rough estimate)
Density: 1.194 · 1.1940 (rough estimate)
refractive index: 1.63 · 1.6300 (estimate)

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Compound notes

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