CAS No.367278-49-7,(R)-3-t-Butyl-beta-alanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	367278-49-7
Name:	(R)-3-t-Butyl-beta-alanine

Formula:	C₇H₁₅NO₂
Molecular Weight:	145.202
Synonyms:	(3R)-3-Amino-4,4-dimethylpentanoic acid;(3R)-3-Ammonio-4,4-dimethylpentanoate;
Density:	1.016 g/cm³
Boiling Point:	241.6 °C at 760 mmHg
Flash Point:	99.9 °C
PSA:	63.32000
LogP:	1.53480

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Specification

The (R)-3-t-Butyl-beta-alanine, with the CAS registry number 367278-49-7, is also known as (3R)-3-Amino-4,4-dimethylpentanoic acid. This chemical's molecular formula is C₇H₁₅NO₂ and molecular weight is 145.20. What's more, its systematic name is (3R)-3-Ammonio-4,4-dimethylpentanoate.

Physical properties of (R)-3-t-Butyl-beta-alanine are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.79; (4)ACD/LogD (pH 7.4): -1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 39.5 cm³; (15)Molar Volume: 142.8 cm³; (16)Polarizability: 15.6×10^-24 cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.016 g/cm³; (19)Flash Point: 99.9 °C; (20)Enthalpy of Vaporization: 52.71 kJ/mol; (21)Boiling Point: 241.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0118 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C[C@@H]([NH3+])C(C)(C)C
(2)InChI: InChI=1/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
(3)InChIKey: MIMSUZKTGRXZNZ-RXMQYKEDBQ