AC1MHJ1J
1-(2,6-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea;hydrochloride
Also Known As: Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-, monohydrochloride|1-(4,5,6,7-Tetrahydro-1H-1,3-diazepin-2-yl)-3-(2,6-xylyl)-urea hydrochloride|1-(2,6-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea hydrochloride|N-(2,6-Dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea--hydrogen chloride (1/1)
| Molecular Formula | C14H21ClN4O |
|---|---|
| Molecular Weight | 296.14038 g/mol |
| LogP | 2.58614 |
| Topological Polar Surface Area | 65.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.14038 |
| Monoisotopic Mass | 296.14038 |
| Heavy Atoms | 20 |
| Complexity | 481.69733 |
Chemical Identifiers
| CAS Number | 68656-95-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC2=NCCCCN2.Cl |
Product Overview
AC1MHJ1J (CAS 68656-95-1), with molecular formula C14H21ClN4O and molecular weight 296.14038 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea;hydrochloride.
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