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206559-98-0

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Basic Information
CAS No.: 206559-98-0
Name: 3-(N,N-Dimethylamino)-D-alanine
Molecular Structure:
Molecular Structure of 206559-98-0 (3-(N,N-Dimethylamino)-D-alanine)
Formula: C5H12N2O2
Molecular Weight: 132.162
Synonyms: (R)-2-Amino-3-(dimethylamino)propanoic acid;
Density: 1.129 g/cm3
Boiling Point: 214.3 °C at 760 mmHg
Flash Point: 83.4 °C
PSA: 81.14000
LogP: -0.00470
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Specification

The 3-(N,N-Dimethylamino)-D-alanine, with the CAS registry number 206559-98-0, is also known as (R)-2-Amino-3-(dimethylamino)propanoic acid. It belongs to the product categories of Aminetertiary; Amino Acids. This chemical's molecular formula is C5H12N2O2 and molecular weight is 132.16. Its systematic name is called D-alanine, 3-(dimethylamino)-.

Physical properties of 3-(N,N-Dimethylamino)-D-alanine: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.492; (9)Molar Refractivity: 33.99 cm3; (10)Molar Volume: 117 cm3; (11)Surface Tension: 46.1 dyne/cm; (12)Density: 1.129 g/cm3; (13)Flash Point: 83.4 °C; (14)Enthalpy of Vaporization: 49.65 kJ/mol; (15)Boiling Point: 214.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0609 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)C[C@H](C(=O)O)N
(2)InChI: InChI=1/C5H12N2O2/c1-7(2)3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)/t4-/m1/s1
(3)InChIKey: KEZRWUUMKVVUPT-SCSAIBSYBZ