Cas no 7107-58-6 (Carbamic acid, cyclohexyl-, phenylmethyl ester)
7107-58-6 structure
Product Name:Carbamic acid, cyclohexyl-, phenylmethyl ester
CAS No:7107-58-6
MF:C14H19NO2
MW:233.30616402626
CID:546074
PubChem ID:11085683
Update Time:2025-04-19
Carbamic acid, cyclohexyl-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, cyclohexyl-, phenylmethyl ester
- benzyl N-cyclohexylcarbamate
- DTXSID20454708
- benzyl cyclohexylcarbamate
- SCHEMBL1424064
- ST51037759
- AKOS024386448
- 7107-58-6
-
- Inchi： 1S/C14H19NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
- InChI Key： KUYRDAWXIBUVCA-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(NC1CCCCC1)=O
Computed Properties
- Exact Mass: 233.14167
- Monoisotopic Mass: 233.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 230
- 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: 3.2
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
Carbamic acid, cyclohexyl-, phenylmethyl ester Related Literature
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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