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