Basic information
- CAS
40253-51-8- Standard SMILES
Cl.O=P(O)(O)OCCCNCCNCCCl- InChIKey
LUASBHXEWCQULV-UHFFFAOYSA-N- Molecular formula
- C7H19Cl2N2O4P
- Average molar mass
- 297.11 g/mol
- Monoisotopic mass
- 296.0459495
Overview
hydrolysis product of cyclophosphamide; RN refers to monohydrochloride
Names & identifiers
- Preferred name
- 1-Propanol, 3-((2-((2-chloroethyl)amino)ethyl)amino)-, dihydrogen phosphate (ester), monohydrochloride
- IUPAC
- 3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate;hydrochloride
- English name
- N-(2-chloroethyl)-N'-(3-phosphopropyl)ethylenediamine
- Molecular weight
- 0
Names & synonyms
N-CE-N'-Ppee monohydrochloride40253-51-8N-(2-Chloroethyl)-N'-(3-phosphopropyl)ethylenediamineDTXSID301932321-Propanol, 3-((2-((2-chloroethyl)amino)ethyl)amino)-, dihydrogen phosphate (ester), monohydrochlorideRefChem:161706DTXCID40115723[3-({2-[(2-chloroethyl)amino]ethyl}amino)propoxy]phosphonic acid hydrochloride3-({2-[(2-Chloroethyl)amino]ethyl}amino)propyl dihydrogen phosphate--hydrogen chloride (1/1)
Database identifiers
- CAS
40253-51-8- PubChem CID
- 170291
- DTXSID
DTXSID30193232
Properties
Computed structural properties
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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