Cas no 156767-18-9 (Cyclopentanemethanol, 3-(aminomethyl)-1,2,2-trimethyl-, (1R,3S)-)
156767-18-9 structure
Product Name:Cyclopentanemethanol, 3-(aminomethyl)-1,2,2-trimethyl-, (1R,3S)-
CAS No:156767-18-9
MF:C10H21NO
MW:171.279843091965
CID:2779643
PubChem ID:11095073
Update Time:2025-04-21
Cyclopentanemethanol, 3-(aminomethyl)-1,2,2-trimethyl-, (1R,3S)- Chemical and Physical Properties
Names and Identifiers
-
- 156767-18-9
- DTXSID10454959
- Cyclopentanemethanol, 3-(aminomethyl)-1,2,2-trimethyl-, (1R,3S)-
- DTXCID00405778
-
- Inchi： 1S/C10H21NO/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8,12H,4-7,11H2,1-3H3/t8-,10+/m1/s1
- InChI Key： PUCMHUJJNLSQNC-SCZZXKLOSA-N
- SMILES： OC[C@]1(C)CC[C@H](CN)C1(C)C
Computed Properties
- Exact Mass: 171.162314293Da
- Monoisotopic Mass: 171.162314293Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 167
- 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: 1.2
- Topological Polar Surface Area: 46.3?2
Cyclopentanemethanol, 3-(aminomethyl)-1,2,2-trimethyl-, (1R,3S)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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