Name: 3-ACRYLAMIDO-3-METHYLBUTYRIC ACID
SKU: 38486-53-2

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Basic Information

Molecular Structure:
CAS No.:	38486-53-2
Name:	3-ACRYLAMIDO-3-METHYLBUTYRIC ACID

Formula:	C₈H₁₃NO₃
Molecular Weight:	171.09
Synonyms:	Butanoicacid, 3-methyl-3-[(1-oxo-2-propenyl)amino]- (9CI);
Density:	1.095 g/cm³
Boiling Point:	382.9 °C at 760 mmHg
Flash Point:	185.4 °C
Hazard Symbols:	Xi
PSA:	66.40000
LogP:	0.93280

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Specification

The Butanoic acid,3-methyl-3-[(1-oxo-2-propen-1-yl)amino]-, with CAS registry number 38486-53-2, has the systematic name of 3-(acryloylamino)-3-methylbutanoic acid. And the chemical formula of this chemical is C₈H₁₃NO₃. Its molecular weight is 171.19.

Physical properties of Butanoic acid,3-methyl-3-[(1-oxo-2-propen-1-yl)amino]-: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.474; (12)Molar Refractivity: 43.99 cm³; (13)Molar Volume: 156.2 cm³; (14)Polarizability: 17.43×10^-24cm³; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.095 g/cm³; (17)Flash Point: 185.4 °C; (18)Enthalpy of Vaporization: 69.32 kJ/mol; (19)Boiling Point: 382.9 °C at 760 mmHg; (20)Vapour Pressure: 6.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C)(CC(=O)O)C)\C=C
(2)InChI: InChI=1/C8H13NO3/c1-4-6(10)9-8(2,3)5-7(11)12/h4H,1,5H2,2-3H3,(H,9,10)(H,11,12)
(3)InChIKey: XOQMWEWYWXJOAN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H13NO3/c1-4-6(10)9-8(2,3)5-7(11)12/h4H,1,5H2,2-3H3,(H,9,10)(H,11,12)
(5)Std. InChIKey: XOQMWEWYWXJOAN-UHFFFAOYSA-N