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Home > Pyridines > 1820580-25-3
1820580-25-3 | rac-(2S,6S)-2-allyl-6-butyl-1,2,3,6-tetrahydropyridine hydrochloride
CAS No: 1820580-25-3 Catalog No: AG00J0WV MDL No:MFCD28038731
Product Description
Catalog Number:
AG00J0WV
Chemical Name:
rac-(2S,6S)-2-allyl-6-butyl-1,2,3,6-tetrahydropyridine hydrochloride
CAS Number:
1820580-25-3
Molecular Formula:
C12H22ClN
Molecular Weight:
215.7628
MDL Number:
MFCD28038731
IUPAC Name:
(2S,6S)-6-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine;hydrochloride
InChI:
InChI=1S/C12H21N.ClH/c1-3-5-8-12-10-6-9-11(13-12)7-4-2;/h4,6,10-13H,2-3,5,7-9H2,1H3;1H/t11-,12-;/m0./s1
InChI Key:
UAHYSJCZSZAOAC-FXMYHANSSA-N
SMILES:
CCCC[C@H]1C=CC[C@@H](N1)CC=C.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
215.144g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.765g/mol
Monoisotopic Mass:
215.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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