Name: 3-aMino-4-cyclobutyl-2-hydroxybutanaMide
SKU: 746598-16-3

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Basic Information

Molecular Structure:
CAS No.:	746598-16-3
Name:	3-aMino-4-cyclobutyl-2-hydroxybutanaMide

Formula:	C₈H₁₆N₂O₂
Molecular Weight:	172.227
Synonyms:	3-Amino-3-cyclobutylmethyl-2-hydroxypropionamide;
Density:	1.194 g/cm³
Boiling Point:	403.207 °C at 760 mmHg
Flash Point:	197.653 °C
PSA:	90.33000
LogP:	1.20010

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Specification

The 3-Amino-4-cyclobutyl-2-hydroxybutanamide, with the CAS registry number 746598-16-3, is also known as Cyclobutanebutanamide, β-amino-α-hydroxy-. This chemical's molecular formula is C₈H₁₆N₂O₂ and molecular weight is 172.22. What's more, its systematic name is 3-Amino-4-cyclobutyl-2-hydroxybutanamide.

Physical properties of 3-Amino-4-cyclobutyl-2-hydroxybutanamide are: (1)ACD/LogP: -0.147; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.74; (4)ACD/LogD (pH 7.4): -1.06; (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): 2.43; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 89.34 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 45.592 cm³; (15)Molar Volume: 144.297 cm³; (16)Polarizability: 18.074×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.194 g/cm³; (19)Flash Point: 197.653 °C; (20)Enthalpy of Vaporization: 75.641 kJ/mol; (21)Boiling Point: 403.207 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(O)C(N)CC1CCC1
(2)Std. InChI: InChI=1S/C8H16N2O2/c9-6(7(11)8(10)12)4-5-2-1-3-5/h5-7,11H,1-4,9H2,(H2,10,12)
(3)Std. InChIKey: UTALHROEBHXMFG-UHFFFAOYSA-N