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CAS No.: | 58094-18-1 |
---|---|
Name: | (+)-N-BENZOYLGLUTAMIC ACID |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C12H13NO5 |
Molecular Weight: | 251.239 |
Synonyms: | Benzoyl-D-glutamicacid;(+)-N-Benzoylglutamic acid;(+)-N-Benzoylglutamic acid, 97% (unnatural); |
Density: | 1.354 g/cm3 |
Melting Point: | 130-135 °C(lit.) |
Boiling Point: | 562 °C at 760 mmHg |
Flash Point: | 293.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 103.70000 |
LogP: | 1.12530 |
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The CAS register number of D-Glutamic acid,N-benzoyl- is 58094-18-1. It also can be called as Benzoyl-D-glutamicacid and the systematic name about this chemical is N-benzoyl-D-glutamic acid. The molecular formula about this chemical is C12H13NO5 and the molecular weight is 251.24. It belongs to the following product categories which include Glutamic Acid; Amino Acid Derivatives; Peptide Synthesis and so on.
Physical properties about D-Glutamic acid,N-benzoyl- are: (1)ACD/LogP: -0.10; (2)ACD/LogD (pH 5.5): -2.95; (3)ACD/LogD (pH 7.4): -4.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 72.91 Å2; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 61.49 cm3; (14)Molar Volume: 185.4 cm3; (15)Polarizability: 24.37x10-24cm3; (16)Surface Tension: 62 dyne/cm; (17)Density: 1.354 g/cm3; (18)Flash Point: 293.7 °C; (19)Enthalpy of Vaporization: 88.91 kJ/mol; (20)Boiling Point: 562 °C at 760 mmHg; (21)Vapour Pressure: 1.81E-13 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H](C(=O)O)CCC(=O)O)c1ccccc1
(2)InChI: InChI=1/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)/t9-/m1/s1 (3)InChIKey: LPJXPACOXRZCCP-SECBINFHBL
(4)Std. InChI: InChI=1S/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)/t9-/m1/s1
(5)Std. InChIKey: LPJXPACOXRZCCP-SECBINFHSA-N