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189274-80-4 | 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (4E)-
CAS No: 189274-80-4 Catalog No: AG002I5F MDL No:
Product Description
Catalog Number:
AG002I5F
Chemical Name:
4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (4E)-
CAS Number:
189274-80-4
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
IUPAC Name:
N-methyl-5-pyridin-3-ylpent-4-en-2-amine
InChI:
InChI=1S/C11H16N2/c1-10(12-2)5-3-6-11-7-4-8-13-9-11/h3-4,6-10,12H,5H2,1-2H3
InChI Key:
IEVJOUFGBRDCNE-UHFFFAOYSA-N
SMILES:
CNC(C/C=C/c1cccnc1)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.263g/mol
Monoisotopic Mass:
176.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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