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850375-04-1 | Benzenemethanamine,N-methyl-4-(2-thienyl)-
CAS No: 850375-04-1 Catalog No: AG004PV2 MDL No:MFCD06797462
Product Description
Catalog Number:
AG004PV2
Chemical Name:
Benzenemethanamine,N-methyl-4-(2-thienyl)-
CAS Number:
850375-04-1
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
MDL Number:
MFCD06797462
IUPAC Name:
N-methyl-1-(4-thiophen-2-ylphenyl)methanamine
InChI:
InChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChI Key:
DRDAOZOONYPMPX-UHFFFAOYSA-N
SMILES:
CNCc1ccc(cc1)c1cccs1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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