4-Amino-2,2-dimethyl-butyric acid supplier

Name
4-Amino-2,2-dimethyl-butyric acid
EINECS
CAS No. 138146-22-2
Density 1.041 g/cm³
Solubility
Melting Point
Formula C₆H₁₃NO₂
Boiling Point 241.4 °C at 760 mmHg
Molecular Weight 131.175
Flash Point 99.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoic acid, 4-amino-2,2-dimethyl-;ZINC04202460;
PSA 63.32000
LogP 1.94830

4-Amino-2,2-dimethyl-butyric acid Specification

The 4-Amino-2,2-dimethyl-butyric acid with CAS registry number of 138146-22-2 is also known as Butanoic acid, 4-amino-2,2-dimethyl-. The IUPAC name is 4-Azaniumyl-2,2-dimethylbutanoate. In addition, the formula is C₆H₁₃NO₂ and the molecular weight is 131.17.

Physical properties about 4-Amino-2,2-dimethyl-butyric acid are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.46; (4)ACD/LogD (pH 7.4): -2.44; (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: 29.54Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 34.91 cm³; (15)Molar Volume: 125.9 cm³; (16)Polarizability: 13.84×10^-24cm³; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.041 g/cm³; (19)Flash Point: 99.8 °C; (20)Enthalpy of Vaporization: 52.68 kJ/mol; (21)Boiling Point: 241.4 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)C(C)(C)CCN
2. InChI: InChI=1/C6H13NO2/c1-6(2,3-4-7)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
3. InChIKey: SBEOMMHBZTWQLR-UHFFFAOYAS
4. Std. InChI: InChI=1S/C6H13NO2/c1-6(2,3-4-7)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
5. Std. InChIKey: SBEOMMHBZTWQLR-UHFFFAOYSA-N

Product Name

4-Amino-2,2-dimethyl-butyric acid

4-Amino-2,2-dimethyl-butyric acid Specification

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