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Name
3-AMINO-3-(THIOPHEN-3-YL)PROPANOIC ACID
- EINECS 305-042-6
- CAS No. 94333-62-7
- Article Data10
- CAS DataBase
- Density 1.345g/cm3
- Solubility
- Melting Point 208-210°
- Formula C7H9NO2S
- Boiling Point 332.7 °C at 760 mmHg
- Molecular Weight 171.22
- Flash Point 155 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3-Thiophenepropanoicacid, b-amino-, (?à)-;(RS)-3-Amino-3-(3-thienyl)propanoic acid;b-(3-Thienyl)-b-alanine;b-Amino-3-thiophenepropanoic acid;
- PSA 91.56000
- LogP 1.92290
3-Amino-3-(thiophen-3-yl)propanoic acid 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
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