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| CAS No.: | 88831-43-0 |
|---|---|
| Name: | 3-AMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER HYDROCHLORIDE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C10H14ClNO2 |
| Molecular Weight: | 215.68 |
| Synonyms: | Benzenepropanoicacid, b-amino-, methyl ester,hydrochloride (9CI);Hydrocinnamic acid, b-amino-, methyl ester, hydrochloride (7CI);3-Amino-3-phenylpropionic acid methyl ester hydrochloride;Methyl3-amino-3-phenylpropionate hydrochloride;b-Aminohydrocinnamic acid methyl ester hydrochloride; |
| Melting Point: | 145-147℃ |
| Boiling Point: | 283 °C at 760 mmHg |
| Flash Point: | 141.7 °C |
| PSA: | 52.32000 |
| LogP: | 2.75180 |
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- Total:17 Page 1 of 1 1
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Specification
The Benzenepropanoic acid, b-amino-, methyl ester,hydrochloride (1:1), with CAS registry number 88831-43-0, has the systematic name of methyl 3-amino-3-phenylpropanoate hydrochloride. Besides this, it is also called 3-Amino-3-phenyl-propionic acid methyl ester hydrochloride. And the chemical formula of this chemical is C10H14ClNO2.
Physical properties of Benzenepropanoic acid, b-amino-, methyl ester,hydrochloride (1:1): (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 29.54 Å2; (7)Flash Point: 141.7 °C; (8)Enthalpy of Vaporization: 52.19 kJ/mol; (9)Boiling Point: 283 °C at 760 mmHg; (10)Vapour Pressure: 0.00324 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)CC(N)c1ccccc1
(2)InChI: InChI=1/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
(3)InChIKey: GYKTZBZYSKZYDB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
(5)Std. InChIKey: GYKTZBZYSKZYDB-UHFFFAOYSA-N