Cas no 2610-63-1 (Carbamic acid,(3-methylphenyl)-, 1-methylethyl ester (9CI))
2610-63-1 structure
Product Name:Carbamic acid,(3-methylphenyl)-, 1-methylethyl ester (9CI)
CAS No:2610-63-1
MF:C11H15NO2
MW:193.242303133011
CID:278313
PubChem ID:75785
Update Time:2025-04-19
Carbamic acid,(3-methylphenyl)-, 1-methylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,(3-methylphenyl)-, 1-methylethyl ester (9CI)
- propan-2-yl N-(3-methylphenyl)carbamate
- AC1L2PID
- AC1Q1QL2
- AC1Q5XX0
- Isopropyl m-tolylcarbamate
- isopropyl N-(3-methylphenyl) carbamate
- isopropyl N-(3-methylphenyl)-carbamate
- isopropyl(3-methylphenyl)carbamate
- m-tolyl-carbamic acid isopropyl ester
- m-Tolyl-carbamidsaeure-isopropylester
- NCIOpen2_001011
- NSC83161
- NSC 83161
- DTXSID00180735
- AI3-22236
- ISOPROPYL (3-METHYLPHENYL)CARBAMATE
- AKOS024334494
- ISOPROPYL N-(M-TOLYL)CARBAMATE
- CARBANILIC ACID, M-METHYL-, ISOPROPYL ESTER
- SCHEMBL10192111
- UNII-S41714S179
- 2610-63-1
- EINECS 220-029-4
- S41714S179
- Carbamic acid, (3-methylphenyl)-, 1-methylethyl ester
- NSC-83161
- NS00028030
- Carbamic acid, N-(3-methylphenyl)-, 1-methylethyl ester
-
- Inchi： 1S/C11H15NO2/c1-8(2)14-11(13)12-10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,12,13)
- InChI Key： DFBONKKNEQNADO-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC=C(C)C=1)=O)C(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: 3
- Complexity: 192
- 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
- Topological Polar Surface Area: 38.3A^2
Experimental Properties
- Density: 1.082
- Boiling Point: 240.5°Cat760mmHg
- Flash Point: 99.3°C
- Refractive Index: 1.543
- PSA: 38.33
- LogP: 3.02490
Carbamic acid,(3-methylphenyl)-, 1-methylethyl ester (9CI) Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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