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Benzeneacetic acid, a-ethyl-, hydrazide

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Name

Benzeneacetic acid, a-ethyl-, hydrazide

EINECS N/A
CAS No. 3538-74-7 Density 1.076 g/cm3
PSA 55.12000 LogP 2.26130
Solubility N/A Melting Point N/A
Formula C10H14N2O Boiling Point 363 °C at 760 mmHg
Molecular Weight 178.234 Flash Point 173.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3538-74-7 (AKOS B014946) Hazard Symbols IrritantXi
Synonyms

Butyricacid, 2-phenyl-, hydrazide (7CI,8CI);NSC 405014;2-phenylbutanehydrazide;benzeneacetic acid, α-ethyl-, hydrazide;2-phenylbutanehydrazide;

 

Benzeneacetic acid, a-ethyl-, hydrazide 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

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