- L-Histidine
- L-Histidine hydrochloride
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- L-Histidine, β-alanyl-3-methyl-
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Cas Database |
| Name |
L-Histidine, β-alanyl-3-methyl- |
EINECS | 209-545-0 |
| CAS No. | 584-85-0 | Density | 1.38 g/cm3 |
| PSA | 110.24000 | LogP | -0.02800 |
| Solubility | N/A | Melting Point |
268℃ (decomposition) |
| Formula | C10H16N4O3 | Boiling Point | 611.3 °C at 760 mmHg |
| Molecular Weight | 240.262 | Flash Point | 323.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Anserine(8CI);Histidine, N-b-alanyl-3-methyl-, L- (7CI);L-Histidine, N-b-alanyl-3-methyl-;β-Alanyl-3-methyl-L-histidine;L-Anserine; |
Article Data | 10 |
L-Histidine, β-alanyl-3-methyl- Synthetic route
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 20 - 50℃; for 4h; | 97% |
| With hydrogenchloride In water at 40 - 50℃; for 8h; | 5.1 g |
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate at 20 - 30℃; for 8h; | 95% |
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With ammonium formate In ethanol at 70 - 80℃; for 12h; Solvent; Reagent/catalyst; Temperature; | 95% |
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 20 - 30℃; for 8h; | 93% |
- 1018683-10-7
β-alanyl-3-methyl-L-histidine methyl ester
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 20 - 30℃; for 8h; | 92% |
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 20 - 30℃; for 8h; | 91% |
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With potassium carbonate at 20 - 30℃; for 8h; | 90.5% |
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h; | 90% |
| With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h; | 4.9 g |
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h; | 90% |
- 848572-83-8
phthalyl-L-anserine methylester
- 584-85-0
L-anserine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water; hydrazine for 5h; Heating / reflux; | 73.8% |
L-Histidine, β-alanyl-3-methyl- Specification
The L-Histidine, β-alanyl-3-methyl-, with the CAS registry number 584-85-0, is also known as L-Anserine. It belongs to the product categoy of Chiral heterocyclic compounds. Its EINECS number is 209-545-0. This chemical's molecular formula is C10H16N4O3 and molecular weight is 240.26. What's more, its systematic name is β-alanyl-3-methyl-L-histidine.
Physical properties of L-Histidine, β-alanyl-3-methyl- are: (1)ACD/LogP: -2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.63; (4)ACD/LogD (pH 7.4): -4.88; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 67.67 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 60.43 cm3; (15)Molar Volume: 173.1 cm3; (16)Polarizability: 23.95×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 323.5 °C; (20)Enthalpy of Vaporization: 95.43 kJ/mol; (21)Boiling Point: 611.3 °C at 760 mmHg; (22)Vapour Pressure: 8.52E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)CCN)Cc1cncn1C
(2)InChI: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
(3)InChIKey: MYYIAHXIVFADCU-QMMMGPOBSA-N
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