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3538-74-7

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Basic Information
CAS No.: 3538-74-7
Name: AKOS B014946
Molecular Structure:
Molecular Structure of 3538-74-7 (AKOS B014946)
Formula: C10H14N2O
Molecular Weight: 178.234
Synonyms: Butyricacid, 2-phenyl-, hydrazide (7CI,8CI);NSC 405014;2-phenylbutanehydrazide;benzeneacetic acid, α-ethyl-, hydrazide;2-phenylbutanehydrazide;
Density: 1.076 g/cm3
Boiling Point: 363 °C at 760 mmHg
Flash Point: 173.3 °C
Hazard Symbols: IrritantXi
PSA: 55.12000
LogP: 2.26130
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Specification

The Benzeneacetic acid, a-ethyl-, hydrazide, with the CAS registry number 3538-74-7, has the systematic name of 2-phenylbutanehydrazide. It is a kind of irritant chemical. And the molecular formula of this chemical is C10H14N2O. In addition, it should be stored in the dry and cool place.

The physical properties of Benzeneacetic acid, a-ethyl-, hydrazide are as following: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.48; (6)ACD/BCF (pH 7.4): 3.49; (7)ACD/KOC (pH 5.5): 84.89; (8)ACD/KOC (pH 7.4): 85.22; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 52.23 cm3; (15)Molar Volume: 165.6 cm3; (16)Polarizability: 20.7×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 173.3 °C; (20)Enthalpy of Vaporization: 60.9 kJ/mol; (21)Boiling Point: 363 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN)C(c1ccccc1)CC
(2)InChI: InChI=1/C10H14N2O/c1-2-9(10(13)12-11)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3,(H,12,13)
(3)InChIKey: LTQTXTYNNOTAOK-UHFFFAOYAB