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| CAS No.: | 57591-61-4 |
|---|---|
| Name: | (R)-Amino-(4-hydroxyphenyl)acetic acid methyl ester hydrochloride |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C9H11NO3.ClH |
| Molecular Weight: | 217.652 |
| Synonyms: | Benzeneaceticacid, a-amino-4-hydroxy-, methyl ester,hydrochloride, (R)-;Benzeneacetic acid, a-amino-4-hydroxy-, methyl ester, hydrochloride, (aR)- (9CI);D-4-Hydroxyphenylglycine methyl ester hydrochloride;MethylD-2-p-hydroxyphenylglycine-hydrochloride;Methyl D-4-hydroxyphenylglycinehydrochloride;(R)-Amino-(4-hydroxyphenyl)acetic acid methyl ester hydrochloride;Methyl (2R)-amino(4-hydroxyphenyl)acetate hydrochloride (1:1);D-p-Hydroxyphenylglycine methyl ester hydrochloride; |
| EINECS: | 1308068-626-2 |
| Melting Point: | 187-190 °C |
| Boiling Point: | 335.1 °C at 760 mmHg |
| Flash Point: | 156.5 °C |
| PSA: | 72.55000 |
| LogP: | 2.06730 |
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Specification
The (R)-Amino-(4-hydroxyphenyl)acetic acid methyl ester hydrochloride with CAS registry number of 57591-61-4 is also known as Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester, (αR)-, hydrochloride (1:1). The systematic name is Methyl (2R)-2-amino-2-(4-hydroxyphenyl)acetate hydrochloride. In addition, the formula is C9H11NO3.ClH and the molecular weight is 217.65. This chemical should be stored in sealed containers in cool, dry place.
Physical properties about (R)-Amino-(4-hydroxyphenyl)acetic acid methyl ester hydrochloride are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.31; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 72.55Å2; (8)Flash Point: 156.5 °C; (9)Enthalpy of Vaporization: 60.11 kJ/mol; (10)Boiling Point: 335.1 °C at 760 mmHg; (11)Vapour Pressure: 6.29E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: N[C@H](c1ccc(O)cc1)C(=O)OC.Cl
2. InChI: InChI=1/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1
3. InChIKey: UYCKVJUNDXPDJH-DDWIOCJRBH
4. Std. InChI: InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1
5. Std. InChIKey: UYCKVJUNDXPDJH-DDWIOCJRSA-N