(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dipropyl ester
Basic information
- CAS
125659-90-7- Standard SMILES
CCCOC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)OCCC)=C(N2CC2)C1=O- InChIKey
NZGZATAQMWPGSL-UHFFFAOYSA-N- Molecular formula
- C18H24N4O6
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.1695845
Names & identifiers
- Preferred name
- (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dipropyl ester
- IUPAC
- propyl N-[2,5-bis(aziridin-1-yl)-3,6-dioxo-4-(propoxycarbonylamino)cyclohexa-1,4-dien-1-yl]carbamate
- English name
- (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbam ic acid, dipropyl ester
- Molecular formula
- C18H24N4O6
- Molecular weight
- 0
Names & synonyms
125659-90-7(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dipropyl esterDTXSID30154843RefChem:205564DTXCID2077334propyl N-[2,5-bis(aziridin-1-yl)-3,6-dioxo-4-(propoxycarbonylamino)cyclohexa-1,4-dien-1-yl]carbamate(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbam ic acid, dipropyl esterdipropyl [2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]biscarbamateReaxys ID: 5161490
Database identifiers
- CAS
125659-90-7- PubChem CID
- 147902
- DTXSID
DTXSID30154843
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 700
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Related reactions
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Compound notes
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