2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (S)-

Base Information

• Chemical Name: 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (S)-
• CAS No.: 60007-96-7
• Molecular Formula: C₇H₁₅Cl₂N₂O₂P
• Molecular Weight: 261.088
• DSSTox Substance ID: DTXSID90904583
• Wikidata: Q81988255
• Mol file: 60007-96-7.mol

Synonyms:D-Cyclophosphamide;(S)-Cyclophosphamide;BRN 4678992;2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (S)-;60007-96-7;SCHEMBL7304;Cyclophosphamide, (S)-Isomer;DTXSID90904583;LS-99789

Chemical Property of 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, (S)-

Chemical Property:

• Melting Point: 67-68 °C(Solv: isopropyl ether (108-20-3); ethyl acetate (141-78-6))
• Boiling Point: 336.1±52.0 °C(Predicted)
• PKA: 2.84±0.20(Predicted)
• PSA: 51.38000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 2.21280
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.0248201
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNP(=O)(OC1)N(CCCl)CCCl
• Isomeric SMILES: C1CN[P@](=O)(OC1)N(CCCl)CCCl