Cas no 616202-81-4 (1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1S)-)
616202-81-4 structure
Product Name:1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1S)-
CAS No:616202-81-4
MF:C11H14ClN
MW:195.688561916351
CID:472637
PubChem ID:23652278
Update Time:2025-04-19
1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1S)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1S)-
- (S)-8-Chloro-1-Methyl-2,3,4,5-Tetrahydro-1H-3-Benzazepine
- (5S)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- 1H-3-Benzazepine,8-chloro-2,3,4,5-tetrahydro-1-methyl-,(1S)
- SCHEMBL1094953
- (1S)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- (1S)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine
- (S)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- BDBM50161647
- 616202-81-4
- SCHEMBL2695376
- CHEMBL178365
- XTTZERNUQAFMOF-MRVPVSSYSA-N
- (S)-8-chloro-1-methyl-2,3,4,5-tetraliydro-1H-3-benzazepine
- DTXSID40635335
-
- Inchi： 1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m1/s1
- InChI Key： XTTZERNUQAFMOF-MRVPVSSYSA-N
- SMILES： ClC1C=CC2CCNC[C@@H](C)C=2C=1
Computed Properties
- Exact Mass: 195.08162
- Monoisotopic Mass: 195.0814771g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 12?2
Experimental Properties
- Density: 1.075±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 288.1±40.0 oC (760 Torr),
- Flash Point: 128.1±27.3 oC,
- Solubility: Very slightly soluble (0.98 g/l) (25 o C),
- PSA: 12.03
1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1S)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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