N-[amino-[5-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxynaphthalen-1-yl]oxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Basic information
- CAS
88181-23-1- Standard SMILES
NP(=O)(Oc1cccc2c(OP(N)(=O)N(CCCl)CCCl)cccc12)N(CCCl)CCCl- InChIKey
FAORJLUJBXGYIV-UHFFFAOYSA-N- Molecular formula
- C18H26Cl4N4O4P2
- Average molar mass
- 566.2 g/mol
- Monoisotopic mass
- 564.01834
Names & identifiers
- Preferred name
- N-[amino-[5-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxynaphthalen-1-yl]oxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
- IUPAC
- N-[amino-[5-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxynaphthalen-1-yl]oxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Names & synonyms
88181-23-1NSC342671N-[amino-[5-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxynaphthalen-1-yl]oxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamineCHEMBL129920DTXSID90319239NSC-342671DS-011936Naphthalene-1,5-diyl bis[N,N-bis(2-chloroethyl)(phosphorodiamidate)]N-[amino-[5-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxynaphthalen-1-yl]oxy-phosphoryl]-2-chloro-n-(2-chloroethyl)ethanamine
Database identifiers
- CAS
88181-23-1- PubChem CID
- 334969
- DTXSID
DTXSID90319239- ChEMBL
CHEMBL129920
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 602
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Compound notes
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