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Name |
Phenylalanine, methylester, hydrochloride (1:1) |
EINECS | 227-049-2 |
CAS No. | 5619-07-8 | Density | N/A |
PSA | 52.32000 | LogP | 2.23170 |
Solubility | Slightly soluble in water. | Melting Point |
158-162°C |
Formula | C10H14ClNO2 | Boiling Point | 264.2 °C at 760 mmHg |
Molecular Weight | 215.68 | Flash Point | 126 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Alanine,phenyl-, methyl ester, hydrochloride, DL- (8CI);DL-Phenylalanine, methylester, hydrochloride;Phenylalanine, methyl ester, hydrochloride (9CI);(?à)-Phenylalanine methyl esterhydrochloride; |
Article Data | 33 |
The Phenylalanine, methylester, hydrochloride (1:1), with CAS registry number 5619-07-8, has the systematic name of methyl L-phenylalaninate hydrochloride (1:1). This chemical should be stored at the temperarture of -15°C. And the chemical formula of this chemical is C10H14ClNO2. What's more, its EINECS is 227-049-2.
Physical properties of Phenylalanine, methylester, hydrochloride (1:1): (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.5; (7)ACD/KOC (pH 5.5): 2.75; (8)ACD/KOC (pH 7.4): 75.6; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 126 °C; (14)Enthalpy of Vaporization: 50.2 kJ/mol; (15)Boiling Point: 264.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00986 mmHg at 25°C.
Preparation: this chemical can be prepared by methanol and phenylalanine. This reaction will need reagent SOCl2. The reaction time is 12 hour(s).
When you are using this chemical, please be cautious about it as the following:
The Phenylalanine, methylester, hydrochloride (1:1) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Cl.O=C(OC)[C@@H](N)Cc1ccccc1
(2)InChI: InChI=1/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
(3)InChIKey: SWVMLNPDTIFDDY-FVGYRXGTBU
(4)Std. InChI: InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
(5)Std. InChIKey: SWVMLNPDTIFDDY-FVGYRXGTSA-N