CAS 14717-97-6 2-Amino-3-(thiazol-4-yl)propanoic acid (HCID 14540319)

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Basic information

CAS: 14717-97-6
Standard SMILES: NC(Cc1cscn1)C(=O)O
InChIKey: WBZIGVCQRXJYQD-UHFFFAOYSA-N
Molecular formula: C6H8N2O2S
Average molar mass: 172.21 g/mol
Monoisotopic mass: 172.0306485

Names & identifiers

Preferred name: 2-Amino-3-(thiazol-4-yl)propanoic acid
IUPAC: 2-amino-3-(1,3-thiazol-4-yl)propanoic acid
English name: DL-4-Thiazolylalanine
Molecular formula: C6H8N2O2S
Molecular weight: 172.21

Names & synonyms

14717-97-62-Amino-3-(thiazol-4-yl)propanoic acidDL-4-Thiazolylalanine3-(4-Thiazolyl)-DL-alanine2-amino-3-(1,3-thiazol-4-yl)propanoic acidMFCD06656860L-4-thiazoylalanine3-(4-thiazolyl)alanined-3-(4-thiazolyl)-alanineH-DL-Ala(4-Thz)-OHbeta-(4-Thiazolyl)-DL-alanine3-(1,3-Thiazol-4-yl)alanine

Show more names

β-(4-Thiazolyl)-DL-alanineDL-4-Thiazolylalanine USP/EP/BP4-Thiazolepropanoic acid, α-amino-DL-alpha-Amino-4-thiazolepropionic acid

4-thiazoylalanine4-ThiazolealanineSCHEMBL990478DTXSID20561446alpha-Amino-4-thiazolepropanoic acidAKOS0122593402-Amino-3-(4-thiazolyl)propionic Acid2-amino-3-thiazol-4-yl-propanoic acid

Database identifiers

CAS: 14717-97-6
PubChem CID: 14540319
DTXSID: DTXSID20561446

Properties

Computed structural properties

XLogP: -2.3
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 154

Physicochemical properties

Melting point: 237 ℃ · 237℃
Boiling point: 353.3 · 353.3±32.0 °C(Predicted)
Density: 1.433 · 1.433
storage temp.: 2 · 2-8°C
pka: 8.24 · 8.24±0.16(Predicted)
Appearance: white solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Suppliers22 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

上海钰康生物科技有限公司18939844854 · [email protected]

上海缤马科技有限公司15262241608 · [email protected]

南京德尔诺医药科技有限公司02585057128;025-86957866 13952093866 · [email protected]

Related reactions

4 records

New reaction record

HRID 307267As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1239246As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2122763As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2333712As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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