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2044838-29-9 | [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride
CAS No: 2044838-29-9 Catalog No: AG00IM8O MDL No:MFCD30476324
Product Description
Catalog Number:
AG00IM8O
Chemical Name:
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride
CAS Number:
2044838-29-9
Molecular Formula:
C11H14Cl2N2S
Molecular Weight:
277.2133
MDL Number:
MFCD30476324
IUPAC Name:
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride
InChI:
InChI=1S/C11H12N2S.2ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;;/h2-5,7H,6,12H2,1H3;2*1H
InChI Key:
RVOMTOKXLQIYDC-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)c1scnc1C.Cl.Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.207g/mol
Monoisotopic Mass:
276.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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