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CAS No.: | 13226-98-7 |
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Name: | H-PHG-OME HCL |
Molecular Structure: | |
Formula: | C9H11NO2 |
Molecular Weight: | 201.653 |
Synonyms: | Benzeneaceticacid, a-amino-, methyl ester,hydrochloride (9CI);Benzeneacetic acid, a-amino-, methyl ester, hydrochloride, (?à)-;Glycine, 2-phenyl-, methylester, hydrochloride, DL- (8CI);(DL)-Methyl phenylglycinate hydrochloride;2-Methoxy-2-oxo-1-phenylethylamine hydrochloride;DL-2-Phenylglycine methylester hydrochloride;DL-Phenylglycine methyl ester hydrochloride;DL-a-Phenylglycine methyl esterhydrochloride;Methyl (?à)-phenylglycinate hydrochloride;Methyl DL-phenylglycine hydrochloride;Methyl phenylglycinate hydrochloride;Methyl a-aminophenylacetate hydrochloride;Methyl a-phenylglycinate hydrochloride; |
Melting Point: | 200 °C (dec.)(lit.) |
Boiling Point: | 293.4 °C at 760 mmHg |
Flash Point: | 131.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26-36/37 |
PSA: | 52.32000 |
LogP: | 2.36170 |
The Aminophenylacetic acid methyl ester is an organic compound with the formula C9H11NO2. The systematic name of this chemical is methyl N-phenylglycinate hydrochloride (1:1). With the CAS registry number 13226-98-7, it is also named as L-Phenylglycine methyl ester hydrochloride.
Physical properties about Aminophenylacetic acid methyl ester are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 115; (7)ACD/KOC (pH 7.4): 115; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 38.33 Å2; (12)Flash Point: 131.3 °C; (13)Enthalpy of Vaporization: 54.37 kJ/mol; (14)Boiling Point: 293.4 °C at 760 mmHg; (15)Vapour Pressure: 0.0013 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes. When you are using it, wear suitable protective clothing and gloves. In case of 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.COC(=O)CNc1ccccc1
(2)InChI: InChI=1/C9H11NO2.ClH/c1-12-9(11)7-10-8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3;1H
(3)InChIKey: AJHZGVMKIXHMNP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H11NO2.ClH/c1-12-9(11)7-10-8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3;1H
(5)Std. InChIKey: AJHZGVMKIXHMNP-UHFFFAOYSA-N