Cas no 33494-18-7 (1-Benzazocine, 1,2,3,4,5,6-hexahydro-1-methyl-)
33494-18-7 structure
Product Name:1-Benzazocine, 1,2,3,4,5,6-hexahydro-1-methyl-
CAS No:33494-18-7
MF:C12H17N
MW:175.270083189011
CID:2822600
PubChem ID:301490
Update Time:2025-04-21
1-Benzazocine, 1,2,3,4,5,6-hexahydro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- DTXCID00257810
- SCHEMBL12013900
- 33494-18-7
- DTXSID30306683
- 1-Benzazocine, 1,2,3,4,5,6-hexahydro-1-methyl-
-
- Inchi： 1S/C12H17N/c1-13-10-6-2-3-7-11-8-4-5-9-12(11)13/h4-5,8-9H,2-3,6-7,10H2,1H3
- InChI Key： HFPUEPLWTACRID-UHFFFAOYSA-N
- SMILES： N1(C)C2C=CC=CC=2CCCCC1
Computed Properties
- Exact Mass: 175.136099547Da
- Monoisotopic Mass: 175.136099547Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 155
- 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: 3.3
- Topological Polar Surface Area: 3.2?2
1-Benzazocine, 1,2,3,4,5,6-hexahydro-1-methyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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