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1343329-01-0 | 4-ethyl-N-(1,3-thiazol-5-ylmethyl)aniline
CAS No: 1343329-01-0 Catalog No: AG01AV89 MDL No:MFCD16865402
Product Description
Catalog Number:
AG01AV89
Chemical Name:
4-ethyl-N-(1,3-thiazol-5-ylmethyl)aniline
CAS Number:
1343329-01-0
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD16865402
IUPAC Name:
4-ethyl-N-(1,3-thiazol-5-ylmethyl)aniline
InChI:
InChI=1S/C12H14N2S/c1-2-10-3-5-11(6-4-10)14-8-12-7-13-9-15-12/h3-7,9,14H,2,8H2,1H3
InChI Key:
IIDYQSUVSXDKIE-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)NCc1cncs1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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