Product Name: 1-Hexanoylaziridine
CAS Registry Number: 45776-10-1
Synonyms: 1-Caproylaziridine ; 1-Hexanoylaziridine ; Aziridine, 1-caproyl- ; Caproylethyleneimine ; Hexanoylethyleneimine
IUPAC Name: 1-(aziridin-1-yl)hexan-1-one
Molecular Weight: 141.2108 [g/mol]
Molecular Formula: C8H15NO
XLogP3-AA: 1.4
H-Bond Acceptor: 1
Surface Tension: 38.3 dyne/cm
Density: 0.997 g/cm3
Flash Point: 102 °C
Enthalpy of Vaporization: 47.81 kJ/mol
Boiling Point: 241.2 °C at 760 mmHg
Vapour Pressure: 0.0364 mmHg at 25°C
Following is the molecular structure of 1-Hexanoylaziridine (CAS NO.45776-10-1) is:
1. | cyt-rat-ipr 50 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 9 (1954),306. | ||
2. | scu-mus TDLo:360 mg/kg/41W-I:ETA | BJPCAL British Journal of Pharmacology and Chemotherapy. 9 (1954),306. |
Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Descriptors computed from structure, you can know some information about 1-Hexanoylaziridine (CAS NO.45776-10-1) :
Canonical SMILES: CCCCCC(=O)N1CC1
InChI: InChI=1S/C8H15NO/c1-2-3-4-5-8(10)9-6-7-9/h2-7H2,1H3
InChIKey: KFUCFNVEDNPNRD-UHFFFAOYSA-N
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