2-Methylaminosuccinic acid supplier

Name
N-METHYL-DL-ASPARTIC ACID
EINECS
CAS No. 17833-53-3
Article Data11
CAS DataBase
Density 1.343 g/cm³
Solubility H₂ O: 25 mg/mL, clear, colorless
Melting Point
Formula C₅H₉NO₄
Boiling Point 258.2 °C at 760 mmHg
Molecular Weight 147.131
Flash Point 110 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Asparticacid, N-methyl-, DL- (8CI);DL-Aspartic acid, N-methyl-;DL-N-Methylasparticacid;N-Methyl-DL-aspartate;N-Methyl-DL-aspartic acid;
PSA 86.63000
LogP -0.47540

2-Methylaminosuccinic acid Specification

The Aspartic acid,N-methyl-, with the CAS registry number 17833-53-3, has the systematic name of N-methylaspartic acid. It is also called 2-(methylamino)butanedioic acid. And the molecular formula of the chemical is C₅H₉NO₄. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Aspartic acid,N-methyl- are as followings: (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)Polarizability: 12.64×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.343 g/cm³; (19)Flash Point: 110 °C; (20)Enthalpy of Vaporization: 54.59 kJ/mol; (21)Boiling Point: 258.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0042 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CC(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)
(3)InChIKey: HOKKHZGPKSLGJE-UHFFFAOYAN

Product Name

N-METHYL-DL-ASPARTIC ACID

2-Methylaminosuccinic acid Specification

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