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CAS No.: | 7476-86-0 |
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Name: | 1-{[(phenanthren-1-ylmethyl)amino]oxy}ethanone |
Molecular Structure: | |
Formula: | C17H15NO2 |
Molecular Weight: | 265.31 |
Synonyms: | Hydroxylamine,O-acetyl-N-(1-phenanthrylmethyl)- (8CI);NSC 402967;AC1L82LG;CID345357;(Phenanthren-1-ylmethylamino) acetate; |
Density: | 1.209 g/cm3 |
Boiling Point: | 453.9 °C at 760 mmHg |
Flash Point: | 228.3 °C |
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The Aceticacid, (1-phenanthrenylmethyl)azanyl ester with CAS registry number of 7476-86-0 is also known as Hydroxylamine,O-acetyl-N-(1-phenanthrylmethyl)- (8CI). The IUPAC name is (Phenanthren-1-ylmethylamino) acetate. In addition, the formula is C17H15NO2 and the molecular weight is 265.31.
Physical properties about Aceticacid, (1-phenanthrenylmethyl)azanyl ester are: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54Å2; (7)Index of Refraction: 1.665; (8)Molar Refractivity: 81.48 cm3; (9)Molar Volume: 219.2 cm3; (10)Polarizability: 32.3×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.209 g/cm3; (13)Flash Point: 228.3 °C; (14)Enthalpy of Vaporization: 71.34 kJ/mol; (15)Boiling Point: 453.9 °C at 760 mmHg; (16)Vapour Pressure: 1.99E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(ONCc2c1ccc3c(c1ccc2)cccc3)C
2. InChI: InChI=1/C17H15NO2/c1-12(19)20-18-11-14-6-4-8-17-15-7-3-2-5-13(15)9-10-16(14)17/h2-10,18H,11H2,1H3
3. InChIKey: ODPRXWFXISASHB-UHFFFAOYAF
4. Std. InChI: InChI=1S/C17H15NO2/c1-12(19)20-18-11-14-6-4-8-17-15-7-3-2-5-13(15)9-10-16(14)17/h2-10,18H,11H2,1H3
5. Std. InChIKey: ODPRXWFXISASHB-UHFFFAOYSA-N