Cas no 25017-33-8 (Urea,N-[(2,5-dimethylphenyl)methyl]-)
25017-33-8 structure
Product Name:Urea,N-[(2,5-dimethylphenyl)methyl]-
CAS No:25017-33-8
MF:C10H14N2O
MW:178.230962276459
CID:257170
PubChem ID:212820
Update Time:2025-04-19
Urea,N-[(2,5-dimethylphenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-[(2,5-dimethylphenyl)methyl]-
- (2,5-dimethylphenyl)methylurea
- BRN 3268313
- SCHEMBL1520513
- Urea, (2,5-dimethylbenzyl)-
- DTXSID60179721
- 25017-33-8
- 2,5-(Dimethylbenzyl)urea
-
- Inchi: 1S/C10H14N2O/c1-7-3-4-8(2)9(5-7)6-12-10(11)13/h3-5H,6H2,1-2H3,(H3,11,12,13)
- InChI Key: NYSHDDGSAGJEQF-UHFFFAOYSA-N
- SMILES: O=C(N)NCC1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 178.11072
- Monoisotopic Mass: 178.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 182
- 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: 1.2
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
Urea,N-[(2,5-dimethylphenyl)methyl]- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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