CAS
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3-(2-Amino-1,3-thiazol-4-yl)propanoic acid hydrochloride
Catalog Number
ACMA00001390
Category
Amines
Molecular Weight
208.67
Molecular Formula
C6H8F3NO2
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Specification
Hazard Statements
H301
RIDADR
NONH for all modes of transport
Symbol
GHS06
What is the molecular formula of the compound?
The molecular formula of the compound is C6H9ClN2O2S.
What are the synonyms of the compound?
The synonyms of the compound are 3-(2-Amino-1,3-thiazol-4-yl)propanoic acid hydrochloride, 854473-12-4, 3-(2-amino-1,3-thiazol-4-yl)propanoic acid, hydrochloride, MFCD13186030, AKOS023092978.
What is the molecular weight of the compound?
The molecular weight of the compound is 208.67 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 3-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H8N2O2S.ClH/c7-6-8-4(3-11-6)1-2-5(9)10;/h3H,1-2H2,(H2,7,8)(H,9,10);1H.
What is the InChIKey of the compound?
The InChIKey of the compound is XGWQVCKBRDQEIM-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=C(N=C(S1)N)CCC(=O)O.Cl.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 3.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 5.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area of the compound is 104Ų.
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