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85429-38-5 | Lithium, (1,4,5,6-tetrahydro-1-methyl-2-phenyl-3-pyridinyl)-
CAS No: 85429-38-5 Catalog No: AG004NNV MDL No:
Product Description
Catalog Number:
AG004NNV
Chemical Name:
Lithium, (1,4,5,6-tetrahydro-1-methyl-2-phenyl-3-pyridinyl)-
CAS Number:
85429-38-5
Molecular Formula:
C12H14LiN
Molecular Weight:
179.1873
IUPAC Name:
lithium;1-methyl-6-phenyl-2,3,4,5-tetrahydropyridin-5-ide
InChI:
InChI=1S/C12H14N.Li/c1-13-10-6-5-9-12(13)11-7-3-2-4-8-11;/h2-4,7-8H,5-6,10H2,1H3;/q-1;+1
InChI Key:
OMTDUWYWYKBSGT-UHFFFAOYSA-N
SMILES:
[Li]C1=C(N(CCC1)C)c1ccccc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.129g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.191g/mol
Monoisotopic Mass:
179.129g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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