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
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View