Basic information
- Name:
1-Octadecanone,1-(1-aziridinyl)-
- CAS No.:
3891-30-3
- Molecular Structure:
- Formula:
- C20H39 N O
- Molecular Weight:
- 309.60
- Synonyms:
- Aziridine,1-(1-oxooctadecyl)- (9CI); Aziridine, 1-stearoyl- (6CI,7CI,8CI)
- Safety Description:
- Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Details
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Chemistry
Product Name: 1-Stearoylaziridine (CAS NO.3891-30-3)
Molecular Formula: C20H39NO
Molecular Weight: 309.60g/mol
Mol File: 3891-30-3.mol
Boiling point: 428.1 °C at 760 mmHg
Flash Point: 174.2 °C
Density: 0.911 g/cm3
Surface Tension: 36.2 dyne/cm
Enthalpy of Vaporization: 68.32 kJ/mol
Vapour Pressure: 1.55E-07 mmHg at 25°C
XLogP3-AA: 7.9
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 1-Stearoylaziridine (CAS NO.3891-30-3):
IUPAC Name: 1-(aziridin-1-yl)octadecan-1-one
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)N1CC1
InChI: InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-21/h2-19H2,1H3
InChIKey: UJBORAMHOAWXLF-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | cyt-rat-ipr 200 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 9 (1954),306. |
Safety Profile
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification
1-Stearoylaziridine , its CAS NO. is 3891-30-3, the synonyms are 4-20-00-00016 (Beilstein Handbook Reference) ; BRN 0187892 ; Stearoyl ethyleneimine ; Aziridine, 1-stearoyl- .
