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| CAS No.: | 6525-53-7 |
|---|---|
| Name: | dimethyl glutamate |
| Article Data: | 52 |
| Molecular Structure: | |
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| Formula: | C7H13NO4 |
| Molecular Weight: | 175.185 |
| Synonyms: | Glutamicacid, dimethyl ester, L- (6CI,7CI,8CI);L-Glutamic acid, dimethyl ester (9CI);(S)-Glutamic acid dimethyl ester;Dimethyl glutamate; |
| EINECS: | 229-414-1 |
| Density: | 1.129 g/cm3 |
| Melting Point: | 136-138 °C(Solv: ligroine (8032-32-4)) |
| Boiling Point: | 224.292 °C at 760 mmHg |
| Flash Point: | 76.674 °C |
| PSA: | 78.62000 |
| LogP: | 0.14020 |
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- Total:19 Page 1 of 1 1
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Specification
The L-Glutamic acid,1,5-dimethyl ester, with the CAS registry number 6525-53-7, is also known as Glutamic acid dimethyl ester. Its EINECS registry number is 229-414-1. This chemical's molecular formula is C7H13NO4 and molecular weight is 175.18. What's more, both its IUPAC name and systematic name are the same which is called Dimethyl L-glutamate.
Physical properties about L-Glutamic acid,1,5-dimethyl ester are: (1)ACD/LogP: -0.282; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -0.40; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 12.75; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 78.62 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 41.523 cm3; (15)Molar Volume: 155.101 cm3; (16)Polarizability: 16.461×10-24cm3; (17)Surface Tension: 38.57 dyne/cm; (18)Density: 1.129 g/cm3; (19)Flash Point: 76.674 °C; (20)Enthalpy of Vaporization: 46.079 kJ/mol; (21)Boiling Point: 224.292 °C at 760 mmHg; (22)Vapour Pressure: 0.092 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CC[C@H](N)C(=O)OC
(2) InChI: InChI=1S/C7H13NO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4,8H2,1-2H3/t5-/m0/s1
(3) InChIKey: YEJSPQZHMWGIGP-YFKPBYRVSA-N