Basic information
- CAS
94648-46-1- Standard SMILES
CC(C)(COC(=O)N1CC1)COC(=O)N1CC1- InChIKey
MQHDHDWNQONZPE-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.12665706
Names & identifiers
- Preferred name
- [3-(Aziridine-1-carbonyloxy)-2,2-dimethylpropyl] aziridine-1-carboxylate
- IUPAC
- [3-(aziridine-1-carbonyloxy)-2,2-dimethylpropyl] aziridine-1-carboxylate
- English name
- [3-(aziridine-1-carbonyloxy)-2,2-dimethyl-propyl] aziridine-1-carboxyl ate
- Molecular formula
- C11H18N2O4
- Molecular weight
- 242.27
Names & synonyms
94648-46-1NSC44306DTXSID60915388NSC-443062,2-Dimethylpropane-1,3-diyl diaziridine-1-carboxylate2,2-Dimethyl-propandiol-(1,3)-bis-1-Aziridinecarboxylic acid, 2,2-dimethyltrimethylene ester (7CI)[3-(aziridine-1-carbonyloxy)-2,2-dimethyl-propyl] aziridine-1-carboxyl ate
Database identifiers
- CAS
94648-46-1- PubChem CID
- 239347
- DTXSID
DTXSID60915388
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 356.7 · 356.7±25.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- -2.98 · -2.98±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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