AC1MIDGN
4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one;dihydrochloride
Also Known As: Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride|3H-Pyrazol-3-one, 1,2-dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-, dihydrochloride|1,2-Dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 2HCl|1-Phenyl-2,3-dimethyl-4-(bis(2-chloraethyl)aminomethyl)pyrazolon-(5)-dihydrochlorid [German]|1-Phenyl-2,3-dimethyl-4-(bis(2-chloraethyl)aminomethyl)pyrazolon-(5)-dihydrochlorid|4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one dihydrochloride|4-{[Bis(2-chloroethyl)amino]methyl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen chloride (1/2)
| Molecular Formula | C16H23Cl4N3O |
|---|---|
| Molecular Weight | 413.0595 g/mol |
| LogP | 3.60762 |
| Topological Polar Surface Area | 30.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.0595 |
| Monoisotopic Mass | 415.05658 |
| Heavy Atoms | 24 |
| Complexity | 663.95233 |
Chemical Identifiers
| CAS Number | 59902-02-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CCCl)CCCl.Cl.Cl |
Product Overview
AC1MIDGN (CAS 59902-02-2), with molecular formula C16H23Cl4N3O and molecular weight 413.0595 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one;dihydrochloride.