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81185-41-3 | 1-Naphthalenol, 5,6,7,8-tetrahydro-7-(1-piperidinyl)-, hydrobromide
CAS No: 81185-41-3 Catalog No: AG005FBB MDL No:
Product Description
Catalog Number:
AG005FBB
Chemical Name:
1-Naphthalenol, 5,6,7,8-tetrahydro-7-(1-piperidinyl)-, hydrobromide
CAS Number:
81185-41-3
Molecular Formula:
C15H22BrNO
Molecular Weight:
312.2453
IUPAC Name:
7-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
InChI:
InChI=1S/C15H21NO.BrH/c17-15-6-4-5-12-7-8-13(11-14(12)15)16-9-2-1-3-10-16;/h4-6,13,17H,1-3,7-11H2;1H
InChI Key:
MMSFIXKHNZCTAX-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1CC(CC2)N1CCCCC1.Br
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.251g/mol
Monoisotopic Mass:
311.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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