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38222-85-4 | Dimethyl(pyridin-4-ylmethyl)amine
CAS No: 38222-85-4 Catalog No: AG01FEIP MDL No:MFCD00030932
Product Description
Catalog Number:
AG01FEIP
Chemical Name:
Dimethyl(pyridin-4-ylmethyl)amine
CAS Number:
38222-85-4
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD00030932
IUPAC Name:
N,N-dimethyl-1-pyridin-4-ylmethanamine
InChI:
InChI=1S/C8H12N2/c1-10(2)7-8-3-5-9-6-4-8/h3-6H,7H2,1-2H3
InChI Key:
VJOFNWDVXXUHAG-UHFFFAOYSA-N
SMILES:
CN(Cc1ccncc1)C
NSC Number:
100666
Properties
Complexity:
85.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. | Journal of medicinal chemistry 20021010 |
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