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2-Methylaminosuccinic acid

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Name

2-Methylaminosuccinic acid

EINECS N/A
CAS No. 17833-53-3 Density 1.343 g/cm3
PSA 86.63000 LogP -0.47540
Solubility H2 O: 25 mg/mL, clear, colorless Melting Point N/A
Formula C5H9NO4 Boiling Point 258.2 °C at 760 mmHg
Molecular Weight 147.131 Flash Point 110 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 17833-53-3 (N-METHYL-DL-ASPARTIC ACID) Hazard Symbols N/A
Synonyms

Asparticacid, N-methyl-, DL- (8CI);DL-Aspartic acid, N-methyl-;DL-N-Methylasparticacid;N-Methyl-DL-aspartate;N-Methyl-DL-aspartic acid;

Article Data 11

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

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