AC1L7Q1N
N,N-bis(2-chloroethyl)-4-hydroperoxy-3-methyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: N,N-bis(2-chloroethyl)-4-hydroperoxy-3-methyl-2-oxo-1,3,2|2-[Bis(2-chloroethyl)amino]-4-hydroperoxy-3-methyl-1,3,2lambda~5~-oxazaphosphinan-2-one|N,N-bis(2-chloroethyl)-4-hydroperoxy-3-methyl-2-oxo-1,3,2lambda5-|2-[bis(2-chloroethyl)amino]-4-hydroperoxy-3-methyl-1,3,2-oxazaphosphinan-2-ium-2-olate|N,N-bis(2-chloroethyl)-4-hydroperoxy-3-methyl-2-oxo-1,3,2|E5-oxazaphosphinan-2-amine|N,N-BIS(2-CHLOROETHYL)-4-HYDROPEROXY-3-METHYL-2-OXO-1-OXA-3-AZA-2-PHOSPHACYCLOHEXAN-2-AMINE|Tetrahydro-4-hydroperoxy-3-methyl-2-[bis(2-chloroethyl)amino]-2H-1,3,2-oxazaphosphorine 2-oxide
| Molecular Formula | C8H17Cl2N2O4P |
|---|---|
| Molecular Weight | 306.0303 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.0303 |
| Monoisotopic Mass | 306.0303 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 39800-23-2 |
|---|---|
| SMILES | CN1C(CCOP1(=O)N(CCCl)CCCl)OO |
| InChIKey | WFYRJCRAKJDMNE-UHFFFAOYSA-N |
Product Overview
AC1L7Q1N (CAS 39800-23-2), with molecular formula C8H17Cl2N2O4P and molecular weight 306.0303 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-hydroperoxy-3-methyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.