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CAS No.: | 19883-41-1 |
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Name: | H-D-PHG-OME HCL |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C9H11NO2.ClH |
Molecular Weight: | 201.653 |
Synonyms: | Benzeneaceticacid, a-amino-, methyl ester,hydrochloride, (R)-;Benzeneacetic acid, a-amino-, methyl ester, hydrochloride, (aR)- (9CI);Glycine, 2-phenyl-,methyl ester, hydrochloride, D- (8CI);((R)-2-Methoxy-2-oxo-1-phenylethyl)ammonium chloride;(R)-(-)-2-Phenylglycinemethyl ester hydrochloride;(R)-(-)-2-Phenylglycine methyl ester hydrochloride;(R)-2-Phenylglycine methyl ester hydrochloride;(R)-Methyl2-amino-2-phenylacetate hydrochloride;(R)-Phenylglycine methyl esterhydrochloride;D-Phenylglycine methyl ester hydrochloride;D-a-Aminophenylacetic acid methylester hydrochloride;Methyl (R)-amino(phenyl)acetate hydrochloride;Methyl(R)-phenylglycinate hydrochloride;Methyl D-phenylglycinate hydrochloride;Methyl D-a-phenylglycinate hydrochloride;Methyl D-a-phenylglycine hydrochloride;H-D-Phg-OMe·HCl; |
EINECS: | 243-399-9 |
Density: | 1.126 g/cm3 |
Melting Point: | 189-191 °C(lit.) |
Boiling Point: | 238.9 ºC at 760 mmHg |
Flash Point: | 104.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26-36/37 |
PSA: | 52.32000 |
LogP: | 2.36170 |
The Benzeneacetic acid, a-amino-, methyl ester,hydrochloride (1:1), (aR)-, with the CAS registry number 19883-41-1, is also known as (R)-2-Phenylglycine methyl ester hydrochloride. It belongs to the product categories of Amino Acids; Phenylglycine [Phg]; Phenylglycine Derivatives; Peptide Synthesis; Unnatural Amino Acid Derivatives. Its EINECS number is 243-399-9. This chemical's molecular formula is C9H11NO2.ClH and formula weight is 201.65. What's more, its IUPAC name is (2R)-2-(methylamino)-2-phenylacetic acid hydrochloride.
Physical properties of Benzeneacetic acid, a-amino-, methyl ester,hydrochloride (1:1), (aR)- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Flash Point: 104.7 °C; (14)Enthalpy of Vaporization: 47.58 kJ/mol; (15)Boiling Point: 238.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0412 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC(C1=CC=CC=C1)C(=O)O.Cl
(2)Isomeric SMILES: CN[C@H](C1=CC=CC=C1)C(=O)O.Cl
(3)InChI: InChI=1S/C9H11NO2.ClH/c1-10-8(9(11)12)7-5-3-2-4-6-7;/h2-6,8,10H,1H3,(H,11,12);1H/t8-;/m1./s1
(4)InChIKey: FUUXTVBJBBSPAG-DDWIOCJRSA-N