3-(N-Methylamino)-D-alanine supplier

Name
3-(N-Methylamino)-D-alanine
EINECS
CAS No. 20790-78-7
Density 1.157 g/cm³
Solubility
Melting Point
Formula C₄H₁₀N₂O₂
Boiling Point 284.2 °C at 760 mmHg
Molecular Weight 118.13
Flash Point 125.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-alanine, 3-(methylamino)-;(R)-2-Amino-3-(methylamino)propanoic acid;3-(Methylamino)-D-alanine;
PSA 75.35000
LogP -0.29110

3-(N-Methylamino)-D-alanine Specification

The systematic name of 3-(N-Methylamino)-D-alanine is 3-(methylamino)-D-alanine. With the CAS registry number 20790-78-7, it is also named as (R)-2-Amino-3-(methylamino)propanoic acid. In addition, its molecular formula is C₄H₁₀N₂O₂ and molecular weight is 118.13.

The other characteristics of 3-(N-Methylamino)-D-alanine can be summarized as: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 32.78 Å²; (7)Index of Refraction: 1.484; (8)Molar Refractivity: 29.23 cm³; (9)Molar Volume: 102 cm³; (10)Polarizability: 11.58×10^-24cm³; (11)Surface Tension: 47.1 dyne/cm; (12)Density: 1.157 g/cm³; (13)Flash Point: 125.7 °C; (14)Enthalpy of Vaporization: 57.57 kJ/mol; (15)Boiling Point: 284.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000783 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@H](N)CNC
(2)InChI: InChI=1/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1
(3)InChIKey: UJVHVMNGOZXSOZ-GSVOUGTGBU
(4)Std. InChI: InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1
(5)Std. InChIKey: UJVHVMNGOZXSOZ-GSVOUGTGSA-N

Product Name

3-(N-Methylamino)-D-alanine

3-(N-Methylamino)-D-alanine Specification

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