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Cas Database |
| Name |
1-Methyl-L-histidine |
EINECS | 206-368-0 |
| CAS No. | 332-80-9 | Density | 1.37 g/cm3 |
| PSA | 81.14000 | LogP | 0.07480 |
| Solubility | N/A | Melting Point |
~240 °C (dec.)(lit.) |
| Formula | C7H11N3O2 | Boiling Point | 415 °C at 760 mmHg |
| Molecular Weight | 169.183 | Flash Point | 204.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36-24/25-22 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Histidine,1-methyl-, L- (8CI);(S)-2-Amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid;1-Methylhistidine;1-N-Methyl-L-histidine;N1-Methyl-L-histidine;NSC 524367; |
Article Data | 8 |
1-Methyl-L-histidine Synthetic route
- 69618-95-7
(S)-7-(methoxycarbonyl)-2-methyl-5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c] pyrimidin-2-ium iodide
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| With hydrogenchloride Heating; | 99% |
- 118891-68-2
Nα-Trityl-Nτ-methyl-L-histidin
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| With acetic acid In water; ethyl acetate for 1h; Heating; | 71% |
| Conditions | Yield |
|---|---|
| With ammonia; sodium |
- 83471-81-2
(S)-2-Amino-3-{5-[5-((S)-2-amino-2-carboxy-ethyl)-3-methyl-3H-imidazol-4-yldisulfanyl]-1-methyl-1H-imidazol-4-yl}-propionic acid
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| With nickel In ethanol for 0.5h; Heating; |
- 124017-72-7
1-methyl<2-(3)H>-L-histidine
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| With methylmercuric nitrate In water at 85℃; Rate constant; Mechanism; effect of pH; variation of concentration of MeHgNO3; |
- 79950-65-5
N-[(1,1-dimethylethoxy)carbonyl]-3-[(phenylmethoxy)methyl]-L-histidine
- 74-88-4
methyl iodide
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1.) (DMF), 24 h, room temp., 2.) reflux, 24 h; Multistep reaction; |
- 90653-43-3
N(α)-benzyloxycarbonyl-N(ϖ)-t-butoxymethyl-L-histidine methyl ester
- 74-88-4
methyl iodide
A
- 368-16-1
3-methyl-L-histidine
B
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1.) (DMF), 24 h, room temp., 2.) reflux, 24 h; Multistep reaction; |
- 99523-88-3
N(α)-benzyloxycarbonyl-N(ϖ)-(2-methoxyethoxy)methyl-L-histidine methyl ester
- 74-88-4
methyl iodide
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| Multistep reaction; |
- 99523-90-7
N(α)-benzyloxycarbonyl-N(ϖ)-(2-trimethylsilylethoxy)methyl-L-histidine methyl ester
- 74-88-4
methyl iodide
A
- 368-16-1
3-methyl-L-histidine
B
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1.) (DMF), 24 h, room temp., 2.) reflux, 24 h; Multistep reaction; |
- 99523-91-8
N(α)-benzyloxycarbonyl-N(τ)-(2-trimethylsilylethoxy)methyl-L-histidine methyl ester
- 74-88-4
methyl iodide
A
- 368-16-1
3-methyl-L-histidine
B
- 332-80-9
His(1-CH3)
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1.) (DMF), 24 h, room temp., 2.) reflux, 24 h; Multistep reaction; |
1-Methyl-L-histidine Specification
The L-Histidine, 1-methyl-, with the CAS registry number 332-80-9, is also known as 3-(1-Methylimidazol-4-yl)-L-alanine. It belongs to the product categories of Pharmaceutical Raw Materials; Histidine [His, H]; Amino Acids and Derivatives; Amino Acids Methyl; Ethyl; t-Butyl Series. Its EINECS registry number is 206-368-0. This chemical's molecular formula is C7H11N3O2 and molecular weight is 169.18. What's more, its IUPAC name is (2S)-2-Amino-3-(1-methylimidazol-4-yl)propanoic acid and systematic name is called 1-Methyl-L-histidine.
Physical properties about L-Histidine, 1-methyl- are:(1) ACD/LogP: -1.31; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -4.37; (4) ACD/LogD (pH 7.4): -3.88; (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: 5; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 47.36 Å2; (13) Index of Refraction: 1.613; (14) Molar Refractivity: 42.69 cm3; (15) Molar Volume: 122.6 cm3; (16) Surface Tension: 55.4 dyne/cm; (17) Density: 1.37 g/cm3; (18) Flash Point: 204.8 °C; (19) Enthalpy of Vaporization: 70.43 kJ/mol; (20) Boiling Point: 415 °C at 760 mmHg; (21) Vapour Pressure: 1.25E-07 mmHg at 25 °C; (22) Melting Point: 240 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. The gas of this chemical can not be breathed. Therefore, you should wear suitable protective clothing and avoid contacting with skin and eyes. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)Cc1ncn(c1)C
(2) InChI: InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
(3) InChIKey: BRMWTNUJHUMWMS-LURJTMIEBU
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