Basic information
- CAS
18228-80-3- Standard SMILES
NP(=O)(OCc1ccccc1)N(CCCl)CCCl- InChIKey
JSZWFLWJWIMZLD-UHFFFAOYSA-N- Molecular formula
- C11H17Cl2N2O2P
- Average molar mass
- 311.14 g/mol
- Monoisotopic mass
- 310.0404702
Names & identifiers
- Preferred name
- Phosphorodiamidic acid, n,n-bis(2-chloroethyl)-, phenylmethyl ester
- IUPAC
- N-[amino(phenylmethoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Names & synonyms
18228-80-3phosphorodiamidic acid, n,n-bis(2-chloroethyl)-, phenylmethyl ester[AMINO(BENZYLOXY)PHOSPHORYL]BIS(2-CHLOROETHYL)AMINEPHenylmethyl N,N-bis(2-chloroethyl)phosphorodiamidateNSC69942benzyl N,N-bis(2-chloroethyl)phosphorodiamidateNCIOpen2_008371CHEMBL158300SCHEMBL12972935DTXSID90290610EBC-71128NSC-69942
Show more names
EN300-224720Z2216314868Phosphorodiamidic acid,N-bis(2-chloroethyl)-, benzyl ester
Database identifiers
- CAS
18228-80-3- PubChem CID
- 250453
- DTXSID
DTXSID90290610- ChEMBL
CHEMBL158300- Nikkaji
- J373.941D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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