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84434-18-4

Basic Information
CAS No.: 84434-18-4
Name: GARDAMIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 84434-18-4 (GARDAMIDE)
Formula: C12H17NO
Molecular Weight: 191.273
Synonyms: Gardamide;N-Methyl-N-phenyl-2-methylbutanamide;
EINECS: 282-817-4
Density: 1.001 g/cm3
Boiling Point: 275.1 °C at 760 mmHg
Flash Point: 113.1 °C
Appearance: colorless pale yellow liquid
PSA: 20.31000
LogP: 2.69550
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Specification

The Butanamide,N,2-dimethyl-N-phenyl-, with the CAS registry number 84434-18-4, is also known as N-Methyl-N-phenyl-2-methylbutyramide. Its EINECS registry number is 282-817-4. This chemical's molecular formula is C12H17NO and molecular weight is 191.2695. What's more, both its IUPAC name and systematic name are the same which is called N,2-Dimethyl-N-phenylbutanamide.

Physical properties about Butanamide,N,2-dimethyl-N-phenyl- are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 45.17; (6)ACD/BCF (pH 7.4): 45.17; (7)ACD/KOC (pH 5.5): 532.31; (8)ACD/KOC (pH 7.4): 532.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 59.08 cm3; (15)Molar Volume: 190.9 cm3; (16)Polarizability: 23.42×10-24 cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 113.1 °C; (20)Enthalpy of Vaporization: 51.35 kJ/mol; (21)Boiling Point: 275.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00521 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N(c1ccccc1)C)C(C)CC
(2) InChI: InChI=1/C12H17NO/c1-4-10(2)12(14)13(3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
(3) InChIKey: LNODIGSABOGNBQ-UHFFFAOYAL