Basic information
- CAS
1566-15-0- Standard SMILES
NC1CCCCC1.NP(=O)(O)N(CCCl)CCCl- InChIKey
BGTIPRUDEMNRIP-UHFFFAOYSA-N- Molecular formula
- C10H24Cl2N3O2P
- Average molar mass
- 320.19 g/mol
- Monoisotopic mass
- 319.0983194
Names & identifiers
- Preferred name
- Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate
- IUPAC
- amino-[bis(2-chloroethyl)amino]phosphinic acid;cyclohexanamine
- English name
- PHOSPHORAMIDEMUSTARD
- Molecular formula
- C6H13N.C4H11Cl2N2O2P
- Molecular weight
- 320.2
Names & synonyms
NSC-699456ZG9FPH7YKOMF-59Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, cyclohexylamine saltCyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidateRefChem:10824671566-15-0OMF 59Phosphoramide mustard (cyclohexanamine)amino-[bis(2-chloroethyl)amino]phosphinic acid;cyclohexanaminePhosphoramide mustard cyclohexylamine saltNSC69945
Show more names
Ai3-51834Phosphamide MustardPhosphoramide mustard cyclohexylaminePhosphamide Mustard Cyclohexamine SaltPhosphamide mustard cyclohexylamine saltPhosphamide Mustard Cyclohexanamine SaltPhosphoramide mustard cyclohexylammonium saltPhosphoramide mustard cyclohexanamine (Standard)amino-[bis(2-chloroethyl)amino]phosphinic acid,cyclohexanamine
NSC 69945Phosphoramide Mustard (cyclohexylammonium salt)N,N-Bis(2-chloroethyl)phosphorodiamidic Acid Cyclohexylamine SaltN,N-bis(2-chloroethyl)phosphorodiamidic acid compound with cyclohexanamine (1:1)5776-49-8Phosphamide Mustard; NSC 69945;Phosphoramide mustard cyclohexamine saltC10H24Cl2N3O2P
Properties
Computed structural properties
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 100 · 100-103°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Moisture Sensitive
- InChI
- 1S/C6H13N.C4H11Cl2N2O2P/c7-6-4-2-1-3-5-6;5-1-3-8(4-2-6)11(7,9)10/h6H,1-5,7H2;1-4H2,(H3,7,9,10)
- InChIKey
- BGTIPRUDEMNRIP-UHFFFAOYSA-N
- SMILES
- ClCCN(P(N)(O)=O)CCCl.NC1CCCCC1
- FDA UNII
- 6 ZG9FPH7YK · 6ZG9FPH7YK
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P321-P330-P362+P364-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P321-P330-P362+P364-P501
Chemistry & industry
Applications
UsesN,N-Bis(2-chloroethyl)phosphorodiamidic Acid Cyclohexylamine Salt is a cytotoxic metabolite of Cyclophosphamide (C988580).
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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