Cas no 2291-80-7 (Carbamic acid, phenyl-,2-methylpropyl ester (9CI))
2291-80-7 structure
Product Name:Carbamic acid, phenyl-,2-methylpropyl ester (9CI)
CAS No:2291-80-7
MF:C11H15NO2
MW:193.242303133011
CID:280668
PubChem ID:232375
Update Time:2025-04-19
Carbamic acid, phenyl-,2-methylpropyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, phenyl-,2-methylpropyl ester (9CI)
- 2-methylpropyl N-phenylcarbamate
- Carbamic acid, phenyl, isobutyl ester
- Isobutyl N-phenyl carbamate
- SR-01000513204-1
- DTXSID10283105
- 2291-80-7
- Isobutyl phenylcarbamate #
- Isobutyl phenylcarbamate
- ULLHJKVIRXQCJN-UHFFFAOYSA-N
- NSC-29704
- Carbamic acid, phenyl-, 2-methylpropyl ester
- SR-01000513204
- SCHEMBL8602983
- NSC29704
-
- Inchi： 1S/C11H15NO2/c1-9(2)8-14-11(13)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
- InChI Key： ULLHJKVIRXQCJN-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC=CC=1)=O)CC(C)C
Computed Properties
- Exact Mass: 193.11035
- Monoisotopic Mass: 193.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 174
- 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: 3.3
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- Density: 1.08
- Boiling Point: 216°Cat760mmHg
- Flash Point: 99.6°C
- Refractive Index: 1.54
- PSA: 38.33
- LogP: 2.96410
Carbamic acid, phenyl-,2-methylpropyl ester (9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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