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| CAS No.: | 2497-02-1 |
|---|---|
| Name: | N-Acetyl-L-histidine |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C8H11N3O3 |
| Molecular Weight: | 197.194 |
| Synonyms: | Histidine,N-acetyl- (6CI);Histidine, N-acetyl-, L- (8CI);N-Acetyl-L-histidine;N-Acetylhistidine;N-a-Acetyl-L-histidine;N2-Acetylhistidine;Na-Acetyl-L-histidine;Na-Acetylhistidine;WR 177589A; |
| EINECS: | 219-678-6 |
| Density: | 1.366g/cm3 |
| Melting Point: | 157-159 ºC |
| Boiling Point: | 620.2 °C at 760mmHg |
| Flash Point: | 328.9 °C |
| Safety: | 24/25 |
| PSA: | 95.08000 |
| LogP: | -0.06760 |
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Specification
The cas register number of N-Acetyl-L-histidine is 2497-02-1. It also can be called as N2-Acetylhistidine and the Systematic name about this chemical is (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoic acid.
Physical properties about N-Acetyl-L-histidine are: (1)ACD/LogP: -1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.1; (4)ACD/LogD (pH 7.4): -4.31; (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: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.43Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 47.37 cm3; (15)Molar Volume: 144.2 cm3; (16)Surface Tension: 64.7 dyne/cm; (17)Density: 1.366 g/cm3; (18)Flash Point: 328.9 °C; (19)Enthalpy of Vaporization: 96.63 kJ/mol; (20)Boiling Point: 620.2 °C at 760 mmHg; (21)Vapour Pressure: 3.04E-16 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
People must avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C(O)[C@@H](NC(=O)C)Cc1cncn1
2.InChI: InChI=1/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1
3.InChIKey: KBOJOGQFRVVWBH-ZETCQYMHBN
4.Std. InChI: InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1