Basic information
- CAS
10159-53-2- Standard SMILES
NP(=O)(O)N(CCCl)CCCl- InChIKey
RJXQSIKBGKVNRT-UHFFFAOYSA-N- Molecular formula
- C4H11Cl2N2O2P
- Average molar mass
- 221.02 g/mol
- Monoisotopic mass
- 219.99352
Overview
Phosphoramide mustard is a phosphorodiamide and a nitrogen mustard.
Names & identifiers
- Preferred name
- Phosphoramide Mustard
- IUPAC
- amino-[bis(2-chloroethyl)amino]phosphinic acid
- English name
- phosphoramide mustard
- Molecular formula
- C4H11Cl2N2O2P
- Molecular weight
- 221.02
Names & synonyms
Phosphoramide mustard10159-53-2Phosphamide mustardFriedman acidN,N-Bis(2-chloroethyl)phosphorodiamidic acidPhosphorodiamidic mustardPhosphorodiamidic acid, N,N-bis(2-chloroethyl)-4K9ULD24RMDTXSID20144036CHEBI:8163RefChem:173655DTXCID6066527
Show more names
RMA03299 RSPhosphoramide Mustard D8Phosphamide nitrogen mustard
amino-[bis(2-chloroethyl)amino]phosphinic acidProtamine phosphoramide mustardNLPDCCRIS 5127ASTA 5317N-Lost-phosphorsaeurediamid [German]N-Lost-phosphorsaeurediamidBRN 1775144
Database identifiers
- CAS
10159-53-2- PubChem CID
- 96356
- DTXSID
DTXSID20144036- ChEMBL
CHEMBL525- ChEBI
CHEBI:8163- UNII
- 4K9ULD24RM
- Nikkaji
- J227.454J
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 363.5 · 363.5±52.0 °C(Predicted)
- Density
- 1.474 · 1.474±0.06 g/cm3(Predicted)
- pka
- 0.41 · 0.41±0.50(Predicted)
- FDA UNII
- 4 K9ULD24RM · 4K9ULD24RM
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 184mg/kg
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
- Toxicity
- LD50 intraperitoneal in mouse: 184mg/kg
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Metabolite PathwaysCyclophosphamide Action Pathway
Upstream & downstream products
Upstream raw materials
Suppliers19 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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