CAS No.94333-62-7,3-AMINO-3-(THIOPHEN-3-YL)PROPANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	94333-62-7
Name:	3-AMINO-3-(THIOPHEN-3-YL)PROPANOIC ACID
Article Data:	10

Formula:	C₇H₉NO₂S
Molecular Weight:	171.22
Synonyms:	3-Thiophenepropanoicacid, b-amino-, (?à)-;(RS)-3-Amino-3-(3-thienyl)propanoic acid;b-(3-Thienyl)-b-alanine;b-Amino-3-thiophenepropanoic acid;
EINECS:	305-042-6
Density:	1.345g/cm³
Melting Point:	208-210°
Boiling Point:	332.7 °C at 760 mmHg
Flash Point:	155 °C
PSA:	91.56000
LogP:	1.92290

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Specification

The 3-Amino-3-(thiophen-3-yl)propanoic acid, with CAS registry number 94333-62-7, has the systematic name of 3-amino-3-thiophen-3-ylpropanoic acid. And its IUPAC name is 3-amino-2-thiophen-3-ylpropanoic acid. And the chemical formula of this chemical is C₇H₉NO₂S. What's more, its EINECS is 305-042-6.

Physical properties of 3-Amino-3-(thiophen-3-yl)propanoic acid: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.91; (4)ACD/LogD (pH 7.4): -1.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 43.92 cm³; (15)Molar Volume: 127.2 cm³; (16)Polarizability: 17.41×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Enthalpy of Vaporization: 60.75 kJ/mol; (19)Vapour Pressure: 5.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)c1ccsc1
(2)InChI: InChI=1/C7H9NO2S/c8-6(3-7(9)10)5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)
(3)InChIKey: UPDVATYZQLTZOZ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H9NO2S/c8-6(3-7(9)10)5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)
(5)Std. InChIKey: UPDVATYZQLTZOZ-UHFFFAOYSA-N