Cas no 77102-33-1 ( )
structure
Product Name:
CAS No:77102-33-1
MF:C11H15NO2
MW:193.242303133011
CID:983192
PubChem ID:302964
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- Propyl methyl(phenyl)carbamate
- NSC190729
- Carbonic acid, monoamide, N-methyl-N-phenyl-, propyl ester
- GSEVBVSOXVINIQ-UHFFFAOYSA-N
- 77102-33-1
- NSC-190729
- DTXSID20307326
-
-
- Inchi： 1S/C11H15NO2/c1-3-9-14-11(13)12(2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
- InChI Key： GSEVBVSOXVINIQ-UHFFFAOYSA-N
- SMILES： O(C(N(C)C1C=CC=CC=1)=O)CCC
Computed Properties
- Exact Mass: 193.110278721g/mol
- Monoisotopic Mass: 193.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 176
- 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: 2.6
- Topological Polar Surface Area: 29.5?2
Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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