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774191-55-8 | Pyridin-3-ylmethyl-thiophen-2-ylmethyl-amine
CAS No: 774191-55-8 Catalog No: AG0177MM MDL No:
Product Description
Catalog Number:
AG0177MM
Chemical Name:
Pyridin-3-ylmethyl-thiophen-2-ylmethyl-amine
CAS Number:
774191-55-8
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
IUPAC Name:
1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine
InChI:
InChI=1S/C11H12N2S/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1-7,13H,8-9H2
InChI Key:
XMGNAIAARHUYBQ-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)CNCc1cccs1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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