N,N-Diethylcyclophosphamide
Basic information
- CAS
53859-37-3- Standard SMILES
CCN(CC)P1(=O)NCCCO1- InChIKey
YYBAUAVEKFNTLT-UHFFFAOYSA-N- Molecular formula
- C7H17N2O2P
- Average molar mass
- 192.2 g/mol
- Monoisotopic mass
- 192.10276479
Overview
structure given in first source
Names & identifiers
- Preferred name
- N,N-Diethylcyclophosphamide
- IUPAC
- N,N-diethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
- English name
- N,N-diethylcyclophosphamide
- Molecular formula
- C7H17N2O2P
- Molecular weight
- 192.2
Names & synonyms
N,N-DiethylcyclophosphamideDidechlorocyclophosphamide53859-37-3diethylcyclophosphamidededichlorocyclophosphamidePC4BQ4V6GRNSC-3032632H-1,3,2-Oxazaphosphorin-2-amine, N,N-diethyltetrahydro-, 2-oxideRefChem:1611892-(diethylamino)-1,3,2-oxazaphosphinane 2-oxideDechlorcyclophosphamideASTA B 516
Show more names
B-516Tetrahydro-2-diethylamino-2H-1,3,2-oxazaphosphorine 2-oxideTetrahydro-N,N-diethyl-2H-1,3,2-oxazaphosphorin-2-amine2-oxide
ASTA 7019NSC 303263BRN 1073314B 5162-(Diethylamino)-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide2-(Diethylamino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxideTetrahydro-2-(diethylamino)-2H-1,3,2-oxazaphosphorine 2-oxide2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(diethylamino)-, 2-oxide
Database identifiers
- CAS
53859-37-3- PubChem CID
- 100460
- UNII
- PC4BQ4V6GR
- Nikkaji
- J78.537G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- FDA UNII
- 4 BQ4V6GR · PC4BQ4V6GR
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Related reactions
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Compound notes
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