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179480-58-1 | Piperidine, 3-[(3-methoxyphenyl)methyl]-, hydrochloride (1:1)
CAS No: 179480-58-1 Catalog No: AG00270T MDL No:MFCD09787524
Product Description
Catalog Number:
AG00270T
Chemical Name:
Piperidine, 3-[(3-methoxyphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
179480-58-1
Molecular Formula:
C13H20ClNO
Molecular Weight:
241.7570
MDL Number:
MFCD09787524
IUPAC Name:
3-[(3-methoxyphenyl)methyl]piperidine;hydrochloride
InChI:
InChI=1S/C13H19NO.ClH/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12;/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3;1H
InChI Key:
YYQAQRNCIJUOLX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC1CCCNC1.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.759g/mol
Monoisotopic Mass:
241.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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