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Cas Database |
| Name |
2-Thiophenepropanoicacid, b-amino- |
EINECS | N/A |
| CAS No. | 3270-89-1 | Density | 1.345 g/cm3 |
| PSA | 91.56000 | LogP | 1.92290 |
| Solubility | N/A | Melting Point |
205-207 °C |
| Formula | C7H9NO2S | Boiling Point | 327.6 °C at 760mm Hg |
| Molecular Weight | 171.22 | Flash Point | 151.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Amino-3-thiophen-2-ylpropanoic acid; |
Article Data | 18 |
2-Thiophenepropanoicacid, b-amino- Specification
The 2-Thiophenepropanoicacid, b-amino-, also known as NSC67429, is the organic compound with the formula C7H9NO2S. It belongs to the product category of B-Amino. With the CAS registry number 3270-89-1, its IUPAC name is 3-amino-3-thiophen-2-ylpropanoic acid.
Physical properties of 2-Thiophenepropanoicacid, b-amino-: (1)XLogP3-AA: -2.3; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 3; (5)Exact Mass: 171.035399; (6)MonoIsotopic Mass: 171.035399; (7)Topological Polar Surface Area: 91.6; (8)Heavy Atom Count: 11; (9)Formal Charge: 0; (10)Complexity: 151; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C(CC(=O)O)N
(2)InChI: InChI=1S/C7H9NO2S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)
(3)InChIKey: GYAYLYLPTPXESE-UHFFFAOYSA-N
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