Basic information
- CAS
13311-57-4- Standard SMILES
O=C(NC1CCCCC1)N1CC1- InChIKey
YYBLYFZIRIAHTJ-UHFFFAOYSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626314
Names & identifiers
- Preferred name
- 1-Aziridinecarboxamide, N-cyclohexyl-
- IUPAC
- N-cyclohexylaziridine-1-carboxamide
- English name
- N-Cyclohexyl-1-aziridinecarboxamide
- Molecular formula
- C9H16N2O
- Molecular weight
- 168.24
Names & synonyms
N-cyclohexylaziridine-1-carboxamideN-Cyclohexyl-1-aziridinecarboxamide13311-57-41-AZIRIDINECARBOXAMIDE, N-CYCLOHEXYL-N-Cyclohexyl-N'-ethyleneureaCyclohexyl-N-carbamoylaziridineN-Cyclohexyl-N-carbamoylaziridineW1P40YQ2YENSC-95974NSC 95974BRN 0128817AI3-51319
Show more names
NSC95974UNII-W1P40YQ2YESCHEMBL27979494WLN: T3NTJ AVM- AL6TJDTXSID50157957
Database identifiers
- CAS
13311-57-4- PubChem CID
- 25846
- DTXSID
DTXSID50157957- UNII
- W1P40YQ2YE
- Nikkaji
- J35.239J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 297.19 °C · 297.19°C (rough estimate)
- Density
- 1.0404 · 1.0404 (rough estimate)
- refractive index
- 1.4922 · 1.4922 (estimate)
- FDA UNII
- 1 P40YQ2YE · W1P40YQ2YE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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