Home Carboxys 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylic acid dihydrochloride

2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylic acid dihydrochloride

CAS No.:
2137744-99-9
Catalog Number:
AG01ELKN
Molecular Formula:
C7H12Cl2N2O2S
Molecular Weight:
259.1534
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Product Description
Catalog Number:
AG01ELKN
Chemical Name:
2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylic acid dihydrochloride
CAS Number:
2137744-99-9
Molecular Formula:
C7H12Cl2N2O2S
Molecular Weight:
259.1534
MDL Number:
MFCD31449565
IUPAC Name:
2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C7H10N2O2S.2ClH/c1-3(8)6-9-5(7(10)11)4(2)12-6;;/h3H,8H2,1-2H3,(H,10,11);2*1H
InChI Key:
IGTOHPYNEMEWBK-UHFFFAOYSA-N
SMILES:
CC(c1sc(c(n1)C(=O)O)C)N.Cl.Cl
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
259.145g/mol
Monoisotopic Mass:
258g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties