4,4'-[(2-Phenyldihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)]bis[N,N-bis(2-chloroethyl)-3-methylaniline]
Basic information
- CAS
19320-22-0- Standard SMILES
Cc1cc(N(CCCl)CCCl)ccc1CN1CCCN(Cc2ccc(N(CCCl)CCCl)cc2C)C1c1ccccc1- InChIKey
YRPKNTQNYABTHO-UHFFFAOYSA-N- Molecular formula
- C34H44Cl4N4
- Average molar mass
- 650.5 g/mol
- Monoisotopic mass
- 648.232008
Names & identifiers
- Preferred name
- 4,4'-[(2-Phenyldihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)]bis[N,N-bis(2-chloroethyl)-3-methylaniline]
- IUPAC
- 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
Names & synonyms
19320-22-0NSC88656DTXSID30329094NSC-886564,4'-[(2-Phenyldihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)]bis[N,N-bis(2-chloroethyl)-3-methylaniline]4,4'-[(2-Phenyl-1,3-diazinane-1,3-diyl)bis(methylene)]bis[N,N-bis(2-chloroethyl)-3-methylaniline]
Database identifiers
- CAS
19320-22-0- PubChem CID
- 417276
- DTXSID
DTXSID30329094
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 678
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Compound notes
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