68656-83-7
N-(((2-CHLOROETHYL)AMINO)IMINOMETHYL)-N'-(2,6-DIMETHYLPHENYL)UREA HYDROCHLORIDE
NameN-(((2-CHLOROETHYL)AMINO)IMINOMETHYL)-N'-(2,6-DIMETHYLPHENYL)UREA HYDROCHLORIDE
FormulaC12 H17 Cl N4 O . Cl H
1Identification
【Name】
N-(((2-CHLOROETHYL)AMINO)IMINOMETHYL)-N'-(2,6-DIMETHYLPHENYL)UREA HYDROCHLORIDE
【CAS】
【MDL】
MFCD01676706
【English Synonyms】
【Formula】
C12 H17 Cl N4 O . Cl H
【MolWeight】
305.207
【Inchi】
InChI=1S/C12H17ClN4O.ClH/c1-8-4-3-5-9(2)10(8)16-12(18)17-11(14)15-7-6-13;/h3-5H,6-7H2,1-2H3,(H4,14,15,16,17,18);1H
【InChIKey】
InChIKey=BNZFAKKWOLVLDF-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)NC(=N)NCCCl)C.Cl
【MOL File】
N-(((2-CHLOROETHYL)A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:5
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(((2-CHLOROETHYL)AMINO)IMINOMETHYL)-N'-(2,6-DIMETHYLPHENYL)UREA HYDROCHLORIDE.cml