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694-49-5 | 5-methyl-1,2,3,6-tetrahydropyridine
CAS No: 694-49-5 Catalog No: AG01BHO7 MDL No:MFCD11499145
Product Description
Catalog Number:
AG01BHO7
Chemical Name:
5-methyl-1,2,3,6-tetrahydropyridine
CAS Number:
694-49-5
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
MDL Number:
MFCD11499145
IUPAC Name:
5-methyl-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h3,7H,2,4-5H2,1H3
InChI Key:
ZKJZYUKADBYJCC-UHFFFAOYSA-N
SMILES:
CC1=CCCNC1
Properties
Complexity:
84.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
97.161g/mol
Monoisotopic Mass:
97.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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