Product Name

  • Name

    3-AMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER HYDROCHLORIDE

  • EINECS
  • CAS No. 88831-43-0
  • Article Data13
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 145-147℃
  • Formula C10H14ClNO2
  • Boiling Point 283 °C at 760 mmHg
  • Molecular Weight 215.68
  • Flash Point 141.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 88831-43-0 (3-AMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER HYDROCHLORIDE)
  • Hazard Symbols
  • 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;
  • PSA 52.32000
  • LogP 2.75180

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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