Cas no 26232-35-9 (1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-)
26232-35-9 structure
Product Name:1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-
CAS No:26232-35-9
MF:C10H12ClN
MW:181.661981582642
CID:257511
PubChem ID:117762
Update Time:2025-04-19
1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-
- 6-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine
- D74800
- Skf 101055
- SK&F-101055
- DTXSID70180868
- 6-Chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- SK&F 101055
- 26232-35-9
- SCHEMBL10879871
- CS-0089049
- 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-
- KGJFKHNSLOSGMN-UHFFFAOYSA-N
-
- Inchi: 1S/C10H12ClN/c11-10-3-1-2-8-4-6-12-7-5-9(8)10/h1-3,12H,4-7H2
- InChI Key: KGJFKHNSLOSGMN-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC2=C1CCNCC2
Computed Properties
- Exact Mass: 181.06596
- Monoisotopic Mass: 181.066
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 12?2
Experimental Properties
- Density: 1.121
- Boiling Point: 300.3°C at 760 mmHg
- Flash Point: 135.4°C
- Refractive Index: 1.545
- PSA: 12.03
1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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