Cas no 15145-36-5 (Urea,N-(2-chloroethyl)-N'-(3-methylphenyl)-)
15145-36-5 structure
Product Name:Urea,N-(2-chloroethyl)-N'-(3-methylphenyl)-
CAS No:15145-36-5
MF:C10H13ClN2O
MW:212.676021337509
CID:210850
PubChem ID:97216
Update Time:2025-04-19
Urea,N-(2-chloroethyl)-N'-(3-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-(2-chloroethyl)-N'-(3-methylphenyl)-
- 1-(2-chloroethyl)-3-(3-methylphenyl)urea
- 1-(2-Chloroethyl)-3-(m-tolyl)urea
- 1-(2-chloroethyl)-3-m-tolylurea
- 1-(2-chloro-ethyl)-3-m-tolyl-urea
- 1-(2-chloro-ethyl)-3-t-tolyl-urea
- AC1L3Y1O
- AC1Q5M85
- BRN 2836333
- NSC106517
- SureCN3781565
- Urea, 1-(2-chloroethyl)-3-(m-tolyl)-
- NSC 106517
- SCHEMBL3781565
- N-(2-CHLOROETHYL)-N'-(3-METHYLPHENYL)UREA
- YFJQMNIZVXYKSD-UHFFFAOYSA-N
- NSC-106517
- AKOS008937218
- 15145-36-5
- CHEMBL162350
- DTXSID50164787
-
- Inchi： 1S/C10H13ClN2O/c1-8-3-2-4-9(7-8)13-10(14)12-6-5-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
- InChI Key： YFJQMNIZVXYKSD-UHFFFAOYSA-N
- SMILES： ClCCNC(NC1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 212.07179
- Monoisotopic Mass: 212.0716407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 187
- 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: 2.1
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 41.13
- LogP: 2.81920
Urea,N-(2-chloroethyl)-N'-(3-methylphenyl)- Related Literature
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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