Cas no 68840-82-4 (HEXAHYDRO-2-(PHENYLMETHYL)-1H-AZEPINE, HYDROCHLORIDE)
68840-82-4 structure
Product Name:HEXAHYDRO-2-(PHENYLMETHYL)-1H-AZEPINE, HYDROCHLORIDE
CAS No:68840-82-4
MF:C13H20ClN
MW:225.75760269165
CID:972256
PubChem ID:90474900
Update Time:2025-04-19
HEXAHYDRO-2-(PHENYLMETHYL)-1H-AZEPINE, HYDROCHLORIDE Chemical and Physical Properties
Names and Identifiers
-
- HEXAHYDRO-2-(PHENYLMETHYL)-1H-AZEPINE, HYDROCHLORIDE
- 2-Benzylazepane hydrochloride
- 68840-82-4
- 2-Benzylazepanehydrochloride
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- Inchi： 1S/C13H19N.ClH/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-14-13;/h1,3-4,7-8,13-14H,2,5-6,9-11H2;1H
- InChI Key： LNZDVSLKPCRWOE-UHFFFAOYSA-N
- SMILES： Cl.N1CCCCCC1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 225.1284273g/mol
- Monoisotopic Mass: 225.1284273g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 149
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12?2
HEXAHYDRO-2-(PHENYLMETHYL)-1H-AZEPINE, HYDROCHLORIDE Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
68840-82-4 (HEXAHYDRO-2-(PHENYLMETHYL)-1H-AZEPINE, HYDROCHLORIDE) Related Products
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