Cas no 51884-04-9 (N-carbamoyl-4-methylbenzamide)
N-carbamoyl-4-methylbenzamide structure
Product Name:N-carbamoyl-4-methylbenzamide
CAS No:51884-04-9
MF:C9H10N2O2
MW:178.187901973724
CID:936037
PubChem ID:99274
Update Time:2025-04-19
N-carbamoyl-4-methylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- N-carbamoyl-4-methylbenzamide
- benzamide, N-(aminocarbonyl)-4-methyl-
- UNII-KQK3VMV1T3
- KQK3VMV1T3
- N-(Aminocarbonyl)-4-methylbenzamide
- NSC203394
- NSC-203394
- 4-09-00-01735 (Beilstein Handbook Reference)
- N-[Hydroxy(imino)methyl]-4-methylbenzene-1-carboximidic acid
- SCHEMBL2793617
- Urea, p-toluoyl-
- 51884-04-9
- p-Toluoylurea
- DTXSID80966211
- NSC 203394
- BRN 1948713
- AKOS013518931
-
- Inchi： 1S/C9H10N2O2/c1-6-2-4-7(5-3-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13)
- InChI Key： BPHRPPOQCQPNMB-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C)=CC=1)NC(N)=O
Computed Properties
- Exact Mass: 178.0743
- Monoisotopic Mass: 178.074228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 208
- 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
- Topological Polar Surface Area: 72.2
- XLogP3: 1.3
Experimental Properties
- Density: 1.213
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.571
- PSA: 72.19
- LogP: 1.89470
N-carbamoyl-4-methylbenzamide Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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