Basic information
- CAS
1980-45-6- Standard SMILES
O=C(NP(=O)(N1CC1)N1CC1)OCc1ccccc1- InChIKey
VFIUCBTYGKMLCM-UHFFFAOYSA-N- Molecular formula
- C12H16N3O3P
- Average molar mass
- 281.25 g/mol
- Monoisotopic mass
- 281.09292838
Overview
Benzodepa is a member of benzenes.
Names & identifiers
- Preferred name
- Benzodepa
- IUPAC
- benzyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
- English name
- Benzodepa
- Molecular formula
- C12H16N3O3P
- Molecular weight
- 281.25
Names & synonyms
BENZODEPA1980-45-6BenzodepumNSC-37096AB-103 (BENZODEPA)Q30T24YM3FNSC37096DTXSID80173509(bis(1-aziridinyl)phosphinyl)carbamic acid phenylmethyl esterRefChem:916921DTXCID1096000Benzcarbimine
Show more names
Benzyl di(aziridin-1-yl)phosphorylcarbaMateN-diethyleniminophosphorylcarbamic acid benzyl esterphenylmethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate[Bis(1-aziridinyl)phosphinyl]carbamic acid benzyl esterCarbamic acid, N-[bis(1-aziridinyl)phosphinyl]-, phenylmethyl ester
DualarAB-103benzyl N-[bis(aziridin-1-yl)phosphoryl]carbamateAB 103ENT-50451Benzyl(bis(1-aziridinyl)phosphinyl)carbamateBenzyl[bis(1-aziridinyl)phosphinyl]carbamateBenzyl (di(1-aziridinyl)phosphinyl)carbamate
Database identifiers
- CAS
1980-45-6- PubChem CID
- 16111
- DTXSID
DTXSID80173509- ChEMBL
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 134 · 134-135°
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 10.48 · 10.48±0.20(Predicted)
- FDA UNII
- 30 T24YM3F · Q30T24YM3F
Chemistry & industry
Applications
UsesAntineoplastic.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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