The 3-Amino-2-methylpropionic acid hydrate, with the CAS registry number of 214139-20-5, is also known as DL-3-Aminoisobutyric acid hydrate. It belongs to the product category of Anthocyanins. This chemical's molecular formula is C4H11NO3 and molecular weight is 121.14. Its systematic name is called 3-Amino-2-methyl-propanoic acid hydrate. In addition, it must be stored in airtight containers and placed in a dry, cool place. When you are dealing with this chemical, you should be very careful. It is toxic in contact with skin and if swallowed.
Physical properties about the 3-Amino-2-methylpropionic acid hydrate are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 4; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 63.32 Å2; (6)Flash Point: 151.1 °C; (7)Enthalpy of Vaporization: 63.62 kJ/mol; (8)Boiling Point: 326.2 °C at 760 mmHg; (9)Vapour Pressure: 3.18E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:O.CC(CN)C(O)=O
(2) InChI:InChI=1/C4H9NO2.H2O/c1-3(2-5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H2
(3) InChIKey:DJNUQSALULMICR-UHFFFAOYAV
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