Basic information
- CAS
4465-94-5- Standard SMILES
NC1CCCCC1.O=P(O)(NCCCO)N(CCCl)CCCl- InChIKey
AASQCZYRAWCJEM-UHFFFAOYSA-N- Molecular formula
- C13H30Cl2N3O3P
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 377.1401842
Names & identifiers
- Preferred name
- Cytoxal alcohol cyclohexylamine
- IUPAC
- bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid;cyclohexanamine
- English name
- CYTOXALALCOHOLCYCLOHEXYLAMINESALT
- Molecular formula
- C13H30Cl2N3O3P
- Molecular weight
- 378.275361
Names & synonyms
4465-94-5NSC-52695Y1RVC1BHMCcytoxal alcohol cyclohexylamineCytoxal alcohol cyclohexylamine saltDTXSID5024893NSC 52695N,N-Bis(2-chloroethyl)-N'-3-hydroxypropyl phosphorodiamidic acidRefChem:919530DTXCID904893Cytoxyl alcohol cyclohexylamine saltCytoxyl alcohol cyclohexylammonium salt
Show more names
CYTOXALALCOHOLCYCLOHEXYLAMINESALTCytoxyl alcohol compd. with cyclohexylaminebis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acidPhosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, compd.with cyclohexanamine (1:1)Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, compd. with cyclohexylamine (1:1)Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, compd. with cyclohexanamine (1:1)
CCRIS 6223UNII-Y1RVC1BHMCN,N-Bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate cyclohexylammonium saltNSC52695bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid;cyclohexanaminePhosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, cyclohexylamine saltQ27294151N,N-Bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidic acid--cyclohexanamine (1/1)
Properties
Computed structural properties
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- CAS DataBase Reference
- 4465 · 4465-94-5
- FDA UNII
- 1 RVC1BHMC · Y1RVC1BHMC
- EPA Substance Registry System
- Cytoxyl alcohol cyclohexylamine salt (4465-94-5)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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