Home Aminos 3-methyl-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]amino}butanoic acid dihydrochloride

3-methyl-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]amino}butanoic acid dihydrochloride

CAS No.:
1396967-32-0
Catalog Number:
AG019V2G
Molecular Formula:
C10H18Cl2N2O2S
Molecular Weight:
301.2331
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Product Description
Catalog Number:
AG019V2G
Chemical Name:
3-methyl-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]amino}butanoic acid dihydrochloride
CAS Number:
1396967-32-0
Molecular Formula:
C10H18Cl2N2O2S
Molecular Weight:
301.2331
MDL Number:
MFCD11858098
IUPAC Name:
3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid;dihydrochloride
InChI:
InChI=1S/C10H16N2O2S.2ClH/c1-6(2)9(10(13)14)11-4-8-5-15-7(3)12-8;;/h5-6,9,11H,4H2,1-3H3,(H,13,14);2*1H
InChI Key:
MINVECQBTXJRLS-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NCc1csc(n1)C)C.Cl.Cl
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
301.226g/mol
Monoisotopic Mass:
300.047g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties