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| CAS No.: | 5619-07-8 |
|---|---|
| Name: | DL-PHENYLALANINE METHYL ESTER HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C10H14ClNO2 |
| Molecular Weight: | 215.68 |
| Synonyms: | Alanine,phenyl-, methyl ester, hydrochloride, DL- (8CI);DL-Phenylalanine, methylester, hydrochloride;Phenylalanine, methyl ester, hydrochloride (9CI);(?à)-Phenylalanine methyl esterhydrochloride; |
| EINECS: | 227-049-2 |
| Melting Point: | 158-162°C |
| Boiling Point: | 264.2 °C at 760 mmHg |
| Flash Point: | 126 °C |
| Solubility: | Slightly soluble in water. |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 52.32000 |
| LogP: | 2.23170 |
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Specification
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).
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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