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Home > Pyridines > 1309668-18-5
1309668-18-5 | rac-(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CAS No: 1309668-18-5 Catalog No: AG00J13A MDL No:MFCD01202924
Product Description
Catalog Number:
AG00J13A
Chemical Name:
rac-(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CAS Number:
1309668-18-5
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
MDL Number:
MFCD01202924
IUPAC Name:
(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C12H19N/c1-4-6-11-8-10(3)9-12(13-11)7-5-2/h4-5,8,11-13H,1-2,6-7,9H2,3H3/t11-,12-/m0/s1
InChI Key:
BDKVHGIIDKMPBK-RYUDHWBXSA-N
SMILES:
C=CC[C@@H]1N[C@@H](CC=C)C=C(C1)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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