CAS No.4226-18-0,N-Methyl-L-aspartic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4226-18-0
Name:	N-Methyl-L-aspartic acid
Article Data:	4

Formula:	C₅H₉NO₄
Molecular Weight:	147.131
Synonyms:	Asparticacid, N-methyl-, L- (8CI);N-Methyl-L-aspartate;N-Methyl-L-aspartic acid;N-Methylaspartic acid;NSC 16206;
Density:	1.343 g/cm³
Melting Point:	185 °C
Boiling Point:	258.2 °C at 760 mmHg
Flash Point:	110 °C
Appearance:	white to off-white crystalline powder
Safety:	24/25
PSA:	86.63000
LogP:	-0.47540

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Specification

The L-Aspartic acid, N-methyl-, with the CAS registry number of 4226-18-0, is also known as N-methyl-L-aspartic acid. This chemical's molecular formula is C₅H₉NO₄ and molecular weight is 147.13. What's more, its IUPAC name is (2S)-2-(Methylamino)butanedioic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place at room temperature. Meanwhile, it should be avoided contact with light. During using it, you should avoid contacting with skin and eyes.

Physical properties about are: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.85; (4)ACD/LogD (pH 7.4): -3.94; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 31.89 cm³; (15)Molar Volume: 109.5 cm³; (16)Surface Tension: 56.3 dyne/cm; (17)Density: 1.343 g/cm³; (18)Flash Point: 110 °C; (19)Enthalpy of Vaporization: 54.59 kJ/mol; (20)Boiling Point: 258.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0042 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C[C@H](NC)C(=O)O
(2) InChI: InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
(3) InChIKey: HOKKHZGPKSLGJE-VKHMYHEABX