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Home > Pyridines > 1019511-94-4
1019511-94-4 | 3-ethynyl-N-[(pyridin-4-yl)methyl]aniline
CAS No: 1019511-94-4 Catalog No: AG01AAHG MDL No:MFCD11138208
Product Description
Catalog Number:
AG01AAHG
Chemical Name:
3-ethynyl-N-[(pyridin-4-yl)methyl]aniline
CAS Number:
1019511-94-4
Molecular Formula:
C14H12N2
Molecular Weight:
208.2585
MDL Number:
MFCD11138208
IUPAC Name:
3-ethynyl-N-(pyridin-4-ylmethyl)aniline
InChI:
InChI=1S/C14H12N2/c1-2-12-4-3-5-14(10-12)16-11-13-6-8-15-9-7-13/h1,3-10,16H,11H2
InChI Key:
AZFIFDCGLHJVPY-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)NCc1ccncc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.264g/mol
Monoisotopic Mass:
208.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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