3-(3-Thienyl)-DL-alanine supplier

Name
3-THIOPHENEPROPIONIC ACID
EINECS 222-974-8
CAS No. 3685-48-1
Article Data6
CAS DataBase
Density 1.349g/cm³
Solubility
Melting Point
Formula C₇H₉NO₂S
Boiling Point 320.3 °C at 760 mmHg
Molecular Weight 171.22
Flash Point 147.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine, 3-(3-thienyl)-, DL-;3-thiophenepropanoic acid, α-amino-, (alphaS)-;3-Thiophen-3-yl-L-alanine;
PSA 91.56000
LogP 1.40280

3-(3-Thienyl)-DL-alanine Specification

The 3-(3-Thienyl)-DL-alanine, with CAS registry number 3685-48-1, belongs to the following product category: Aromatic Propionic Acids. It has the systematic name of 3-thiophen-3-yl-L-alanine. And its IUPAC name is 2-amino-3-thiophen-3-ylpropanoic acid. What's more, its EINECS is 222-974-8.

Physical properties about this chemical are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.78 Å²; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 43.87 cm³; (13)Molar Volume: 126.9 cm³; (14)Polarizability: 17.39×10^-24cm³; (15)Surface Tension: 61.2 dyne/cm; (16)Enthalpy of Vaporization: 59.33 kJ/mol; (17)Vapour Pressure: 0.000133 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1ccsc1
(2)InChI: InChI=1/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
(3)InChIKey: VOIZSAUUYAGTMS-LURJTMIEBR
(4)Std. InChI: InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
(5)Std. InChIKey: VOIZSAUUYAGTMS-LURJTMIESA-N

Product Name

3-THIOPHENEPROPIONIC ACID

3-(3-Thienyl)-DL-alanine Specification

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