Basic information
- CAS
54972-15-5- Standard SMILES
COC(=O)C1(C(=O)OC)NN1C- InChIKey
OFMRSMZKZLPANF-UHFFFAOYSA-N- Molecular formula
- C6H10N2O4
- Average molar mass
- 174.15 g/mol
- Monoisotopic mass
- 174.0640568
Names & identifiers
- Preferred name
- 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester
- IUPAC
- dimethyl 1-methyldiaziridine-3,3-dicarboxylate
Names & synonyms
3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester54972-15-5RefChem:10655911-Methyl-3,3-diaziridinedicarboxylic acid dimethyl esterdimethyl 1-methyldiaziridine-3,3-dicarboxylateSCHEMBL15141845DTXSID10970326OFMRSMZKZLPANF-UHFFFAOYSA-N1-Methyl-3,3-bis(carbmethoxy)diaziridineDimethyl 1-methyl-3,3-diaziridinedicarboxylate #
Database identifiers
- CAS
54972-15-5- PubChem CID
- 543739
- DTXSID
DTXSID10970326
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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