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CAS No.: | 625-05-8 |
---|---|
Name: | 3-Amino-3-methyl-butyricacid |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C5H11NO2 |
Molecular Weight: | 117.148 |
Synonyms: | Butanoic acid, 3-amino-3-methyl-; |
Density: | 1.071 g/cm3 |
Melting Point: | 232-233 °C |
Boiling Point: | 220.67 °C at 760 mmHg |
Flash Point: | 87.259 °C |
Hazard Symbols: | Xi |
PSA: | 63.32000 |
LogP: | 0.89870 |
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The 3-Amino-3-methyl-butyricacid, with the CAS registry number of 625-05-8, is also known as Butanoic acid, 3-amino-3-methyl-. This chemical's molecular formula is C5H11NO2 and molecular weight is 117.146340. What's more, its IUPAC name is 3-Amino-3-methylbutanoic acid.
Physical properties about the 3-Amino-3-methyl-butyricacid are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 63.32 Å2; (10)Index of Refraction: 1.466; (11)Molar Refractivity: 30.279 cm3; (12)Molar Volume: 109.421 cm3; (13)Surface Tension: 41.07 dyne/cm; (14)Density: 1.071 g/cm3; (15)Flash Point: 87.259 °C; (16)Enthalpy of Vaporization: 50.362 kJ/mol; (17)Boiling Point: 220.67 °C at 760 mmHg; (18)Vapour Pressure: 0.042 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(CC(=O)O)N
(2) InChI: InChI=1/C5H11NO2/c1-5(2,6)3-4(7)8/h3,6H2,1-2H3,(H,7,8)
(3) InChIKey: NFQAIWOMJQWGSS-UHFFFAOYAG