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CAS No.: | 77481-28-8 |
---|---|
Name: | N-Methyl-D-glutamic acid |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C6H11NO4 |
Molecular Weight: | 161.158 |
Synonyms: | N-Methyl-D-glutamicacid; |
Density: | 1.278 g/cm3 |
Boiling Point: | 330.2 °C at 760 mmHg |
Flash Point: | 153.5 °C |
PSA: | 86.63000 |
LogP: | -0.08530 |
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This chemical is an organic compound with the formula C6H11NO4. The systematic name of this chemical is (2R)-2-(methylamino)pentanedioic acid. With the CAS registry number 77481-28-8, it is also named as D-glutamic acid, N-methyl-. In addition, the molecular weight is 161.16.
The other characteristics of (R)-2-(Methylamino)pentanedioic acid can be summarized as: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 86.63 Å2; (6)Index of Refraction: 1.491; (7)Molar Refractivity: 36.52 cm3; (8)Molar Volume: 126 cm3; (9)Polarizability: 14.48×10-24 cm3; (10)Surface Tension: 52.8 dyne/cm; (11)Density: 1.278 g/cm3; (12)Flash Point: 153.5 °C; (13)Enthalpy of Vaporization: 62.96 kJ/mol; (14)Boiling Point: 330.2 °C at 760 mmHg; (15)Vapour Pressure: 3.31E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:CNC(CCC(=O)O)C(=O)O
2. InChI:InChI=1/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
3. InChIKey:XLBVNMSMFQMKEY-SCSAIBSYBZ
4. Std. InChI:InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
5. Std. InChIKey:XLBVNMSMFQMKEY-SCSAIBSYSA-N