Cas no 67580-08-9 (Cycloheptanol, 2-(dimethylamino)-, trans-)
67580-08-9 structure
Product Name:Cycloheptanol, 2-(dimethylamino)-, trans-
CAS No:67580-08-9
MF:C9H19NO
MW:157.253262758255
CID:1724940
PubChem ID:46318231
Update Time:2025-04-21
Cycloheptanol, 2-(dimethylamino)-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptanol, 2-(dimethylamino)-, trans-
- 67580-08-9
- SCHEMBL11338394
- trans-2-(Dimethylamino)cycloheptanol
- Rel-(1R,2R)-2-(dimethylamino)cycloheptan-1-ol
- (1R,2R)-2-(dimethylamino)cycloheptan-1-ol
- AKOS005173339
-
- Inchi： 1S/C9H19NO/c1-10(2)8-6-4-3-5-7-9(8)11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
- InChI Key： AWVHQKPVPFXPDJ-RKDXNWHRSA-N
- SMILES： O[C@@H]1CCCCC[C@H]1N(C)C
Computed Properties
- Exact Mass: 157.14677
- Monoisotopic Mass: 157.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
Cycloheptanol, 2-(dimethylamino)-, trans- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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