Cas no 109351-39-5 (7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine)
109351-39-5 structure
Product Name:7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CAS No:109351-39-5
MF:C11H14ClN
MW:195.688561916351
CID:1188573
PubChem ID:20430388
Update Time:2025-04-20
7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Chemical and Physical Properties
Names and Identifiers
-
- 7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
- MB69110
- 109351-39-5
- 7-CHLORO-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE
- SCHEMBL160943
-
- Inchi： 1S/C11H14ClN/c1-13-6-4-9-2-3-11(12)8-10(9)5-7-13/h2-3,8H,4-7H2,1H3
- InChI Key： RXPKEOZVQUZJJH-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)CCN(C)CC2
Computed Properties
- Exact Mass: 195.08162
- Monoisotopic Mass: 195.0814771g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 172
- 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: 2.9
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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