Product Name: N-Pyren-2-ylacetamide (CAS NO.1732-14-5)
Molecular Formula: C18H13NO
Molecular Weight: 259.32g/mol
Mol File: 1732-14-5.mol
Boiling point: 535.7 °C at 760 mmHg
Flash Point: 319.9 °C
Density: 1.329 g/cm3
Surface Tension: 64.7 dyne/cm
Enthalpy of Vaporization: 81.23 kJ/mol
Vapour Pressure: 1.5E-11 mmHg at 25°C
XLogP3-AA: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of N-Pyren-2-ylacetamide (CAS NO.1732-14-5):
IUPAC Name: N-pyren-2-ylacetamide
Canonical SMILES: CC(=O)NC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2
InChI: InChI=1S/C18H13NO/c1-11(20)19-16-9-14-7-5-12-3-2-4-13-6-8-15(10-16)18(14)17(12)13/h2-10H,1H3,(H,19,20)
InChIKey: FODXCWHSOLTOJH-UHFFFAOYSA-N
1. | orl-rat TDLo:5508 mg/kg/32W-C:NEO | CNREA8 Cancer Research. 15 (1955),188. |
Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx.
N-Pyren-2-ylacetamide , its CAS NO. is 1732-14-5, the synonyms are 2-Acetylaminopyrene ; 4-12-00-03465 (Beilstein Handbook Reference) ; BRN 2737138 ; Acetamide, N-pyren-2-yl- .
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