5-(3-Chloropropyl)-10,11-dihydro-5H-dibenz[b,f]azepine

HCID 286779
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
16036-79-6
Standard SMILES
ClCCCN1c2ccccc2CCc2ccccc21
InChIKey
BXMXGIZWHZIJPA-UHFFFAOYSA-N
Molecular formula
C17H18ClN
Average molar mass
271.8 g/mol
Monoisotopic mass
271.11277726

Names & identifiers

Preferred name
5-(3-Chloropropyl)-10,11-dihydro-5H-dibenz[b,f]azepine
IUPAC
11-(3-chloropropyl)-5,6-dihydrobenzo[b][1]benzazepine
English name
5-(3-CHLORO-PROPYL)-10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPINE
Molecular formula
C17H18ClN
Molecular weight
271.78

Names & synonyms

16036-79-65-(3-Chloropropyl)-10,11-dihydro-5H-dibenz[b,f]azepine5-(3-chloropropyl)-10,11-dihydro-5h-dibenzo[b,f]azepine11-(3-chloropropyl)-5,6-dihydrobenzo[b][1]benzazepineDTXSID40301700BXMXGIZWHZIJPA-UHFFFAOYSA-NNSC145945SCHEMBL3749292AKOS030240052NSC-145945DB-306186NSC 145945
Show more names
5H-Dibenz[b,f]azepine, 5-(3-chloropropyl)-10,11-dihydro-5-(3-CHLORO-PROPYL)-10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPINE

Database identifiers

CAS
16036-79-6
PubChem CID
286779
DTXSID
DTXSID40301700
Nikkaji
J24.619K

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
19

Physicochemical properties

Melting point
43 · 43-45°C
Boiling point
401.5 · 401.5±44.0 °C(Predicted)
Density
1.13 · 1.130±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Chloroform, Dichloromethane, DMSO, Ethyl Acetate
form
Solid

Chemistry & industry

Applications

UsesA dibenzazepine derivative for the synthesis of many pain, anti-inflammatory and psychopharmacological agents.

Suppliers9 total

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]

Related reactions

51 records
New reaction record

Compound notes

Loading…