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Cas Database |
| Name |
Benzenepropanoic acid, b-amino-, methyl ester,hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 88831-43-0 | Density | N/A |
| PSA | 52.32000 | LogP | 2.75180 |
| Solubility | N/A | Melting Point |
145-147℃ |
| Formula | C10H14ClNO2 | Boiling Point | 283 °C at 760 mmHg |
| Molecular Weight | 215.68 | Flash Point | 141.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 13 |
Benzenepropanoic acid, b-amino-, methyl ester,hydrochloride (1:1) 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
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