Name: RARECHEM AL BW 0424
SKU: 59193-77-0

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Basic Information

Molecular Structure:
CAS No.:	59193-77-0
Name:	RARECHEM AL BW 0424
Article Data:	17

Formula:	C₇H₁₅NO₂
Molecular Weight:	145.202
Synonyms:	Ethyl 3-amino-2,2-dimethylpropanoate;
Density:	0.96 g/cm³
Boiling Point:	192.277 °C at 760 mmHg
Flash Point:	63.701 °C
PSA:	52.32000
LogP:	1.23470

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Specification

The 3-Amino-2,2-dimethyl-propionic acid ethyl ester, with the CAS registry number 59193-77-0, is also known as Propanoic acid, 3-amino-2,2-dimethyl-, ethyl ester. This chemical's molecular formula is C₇H₁₅NO₂ and molecular weight is 145.20. What's more, its systematic name is Ethyl 3-amino-2,2-dimethylpropanoate.

Physical properties of 3-Amino-2,2-dimethyl-propionic acid ethyl ester are: (1)ACD/LogP: 0.777; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.14; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.08; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 39.755 cm³; (15)Molar Volume: 151.291 cm³; (16)Polarizability: 15.76×10^-24cm³; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 0.96 g/cm³; (19)Flash Point: 63.701 °C; (20)Enthalpy of Vaporization: 42.848 kJ/mol; (21)Boiling Point: 192.277 °C at 760 mmHg; (22)Vapour Pressure: 0.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C)(CN)C
(2)Std. InChI: InChI=1S/C7H15NO2/c1-4-10-6(9)7(2,3)5-8/h4-5,8H2,1-3H3
(3)Std. InChIKey: RYKWAKCJLTYPCV-UHFFFAOYSA-N