Ethyl 4-(((bis(2-chloroethyl)amino)(morpholin-4-yl)phosphoryl)amino)cyclohexane-1-carboxylate
Basic information
- CAS
169811-11-4- Standard SMILES
CCOC(=O)C1CCC(NP(=O)(N(CCCl)CCCl)N2CCOCC2)CC1- InChIKey
AWRKGYGIDOWVLA-UHFFFAOYSA-N- Molecular formula
- C17H32Cl2N3O4P
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.1507489
Names & identifiers
- Preferred name
- Ethyl 4-(((bis(2-chloroethyl)amino)(morpholin-4-yl)phosphoryl)amino)cyclohexane-1-carboxylate
- IUPAC
- ethyl 4-[[bis(2-chloroethyl)amino-morpholin-4-ylphosphoryl]amino]cyclohexane-1-carboxylate
- English name
- ethyl 4-[[bis(2-chloroethyl)amino-morpholin-4-yl-phosphoryl]amino]cycl ohexane-1-carboxylate
- Molecular formula
- C17H32Cl2N3O4P
- Molecular weight
- 444.33
Names & synonyms
DTXSID10937691Ethyl 4-(((bis(2-chloroethyl)amino)(morpholin-4-yl)phosphoryl)amino)cyclohexane-1-carboxylateEthyl 4-({[bis(2-chloroethyl)amino](morpholin-4-yl)phosphoryl}amino)cyclohexane-1-carboxylateRefChem:1084893DTXCID501366246169811-11-4Cyclohexanecarboxylic acid, 4-(((bis(2-chloroethyl)amino)-4-morpholinylphosphinyl)amino)-, ethyl ester, cis-ethyl 4-[[bis(2-chloroethyl)amino-morpholin-4-ylphosphoryl]amino]cyclohexane-1-carboxylateethyl 4-[[bis(2-chloroethyl)amino-morpholin-4-yl-phosphoryl]amino]cycl ohexane-1-carboxylateCyclohexanecarboxylic acid, 4-[[[bis(2-chloroethyl)amino]-4-morpholinylphosphinyl]amino]-, ethyl ester, cis-
Database identifiers
- CAS
169811-11-4- PubChem CID
- 3074983
- DTXSID
DTXSID10937691
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 533.441 · 533.441±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.269 · 1.269±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.332 · 3.332±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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