Phosphoramide mustard cyclohexylamine salt

Base Information

• Chemical Name: Phosphoramide mustard cyclohexylamine salt
• CAS No.: 1566-15-0
• Molecular Formula: C10H24Cl2N3O2P
• Molecular Weight: 320.199
• NSC Number: 69945
• UNII: 6ZG9FPH7YK
• DSSTox Substance ID: DTXSID20935481
• ChEMBL ID: CHEMBL1159898
• Mol file: 1566-15-0.mol

Synonyms:1566-15-0;OMF 59;NSC-69945;Phosphoramide mustard cyclohexylamine salt;NSC69945;NSC 69945;6ZG9FPH7YK;Phosphoramide mustard (cyclohexanamine);amino-[bis(2-chloroethyl)amino]phosphinic acid;cyclohexanamine;Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, cyclohexylamine salt;Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate;Phosphoramide mustard cyclohexamine salt;AI3-51834;UNII-6ZG9FPH7YK;AI 3-51834;N,N-bis(2-chloroethyl)phosphorodiamidic acid compound with cyclohexanamine (1:1);OMF-59;SCHEMBL9452793;CHEMBL1159898;DTXSID20935481;NCI69945;CCG-36813;N,N-Bis(2-chloroethyl)phosphorodiamidic acid, cyclohexylammonium salt;NCGC00013782;AKOS030241909;HY-137316A;NCGC00013782-02;NCGC00096892-01;NCI60_035620;CS-0137705;PHOSPHORAMIDE MUSTARD CYCLOHEXYLAMMONIUM;N,N-Bis(2-chloroethyl)phosphorodiamidic Acid Cyclohexylamine Salt;N,N-Bis(2-chloroethyl)phosphorodiamidic acid--cyclohexanamine (1/1);Phosphorodiamidic acid,N-bis(2-chloroethyl)-, cyclohexylamine salt;Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compound with cyclohexanamine (1:1)

Chemical Property of Phosphoramide mustard cyclohexylamine salt

Chemical Property:

• Vapor Pressure: 2.84E-06mmHg at 25°C
• Boiling Point: 363.5°Cat760mmHg
• Flash Point: 173.6°C
• PSA: 102.39000
• Density: g/cm³
• LogP: 3.50350
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 319.0983194
• Heavy Atom Count: 18
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

N,N-Bis(2-chloroethyl)phosphorodiamidicAcidCyclohexylamineSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(N)O
• Uses: N,N-Bis(2-chloroethyl)phosphorodiamidic Acid Cyclohexylamine Salt is a cytotoxic metabolite of Cyclophosphamide (C988580).

Technology Process of Phosphoramide mustard cyclohexylamine salt

There total 1 articles about Phosphoramide mustard cyclohexylamine salt which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ N,N-bis(2-chloroethyl)phosphorodiamidic acid cyclohexylammonium salt (1566-15-0)

Guidance literature:

Reference yield:

N,N-bis(2-chloroethyl)phosphorodiamidic acid cyclohexylammonium salt (1566-15-0) → monohydroxy nornitrogen mustard (3890-98-0) + N,N-bis(chloro-2-ethyl)amine (334-22-5) + N,N-bis(2-hydroxyethyl)phosphodiamidic acid + N-(2-chloroethyl)-N-(2-hydroxyethyl)phosphodiamidic acid

Guidance literature:

With water; at 25 ℃; Rate constant; Mechanism; effect pH (1.0 - 12.0) and temperature (0, 38 deg C) on the satbility of title compound; effect chloride ion satbilization on title compound solution;

DOI:10.1002/jps.2600741208

Reference yield:

N,N-bis(2-chloroethyl)phosphorodiamidic acid cyclohexylammonium salt (1566-15-0) + 2-hydroxyethanethiol (60-24-2) → N,N-bis(5-hydroxy-3-thiapentyl)phosphorodiamidic acid cyclohexylammonium salt (83182-93-8)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jm00353a015

Downstream raw materials:

N,N-bis(5-hydroxy-3-thiapentyl)phosphorodiamidic acid cyclohexylammonium salt

monohydroxy nornitrogen mustard

N,N-bis(chloro-2-ethyl)amine