Cas no 165385-39-7 (2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-5,5-dimethyl-)
165385-39-7 structure
Product Name:2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-5,5-dimethyl-
CAS No:165385-39-7
MF:C9H17NO
MW:155.237382650375
CID:110601
PubChem ID:18428630
Update Time:2025-04-18
2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-5,5-dimethyl-
- 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-5,5-dimethyl-(9CI)
- YQSUNNPPYWMALN-UHFFFAOYSA-N
- SCHEMBL7622404
- 165385-39-7
- 3,4,5,6-tetrahydro-7-methoxy-5,5-dimethyl-2h-azepine
- 7-methoxy-5,5-dimethyl-2,3,4,6-tetrahydroazepine
-
- Inchi： 1S/C9H17NO/c1-9(2)5-4-6-10-8(7-9)11-3/h4-7H2,1-3H3
- InChI Key： YQSUNNPPYWMALN-UHFFFAOYSA-N
- SMILES： O(C)C1CC(C)(C)CCCN=1
Computed Properties
- Exact Mass: 155.13111
- Monoisotopic Mass: 155.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 161
- 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: 1.6
- Topological Polar Surface Area: 21.6?2
Experimental Properties
- PSA: 21.59
2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-5,5-dimethyl- Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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