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87857-18-9 | 1-Naphthalenol, 5,6,7,8-tetrahydro-6-(methylpropylamino)-
CAS No: 87857-18-9 Catalog No: AG004G64 MDL No:
Product Description
Catalog Number:
AG004G64
Chemical Name:
1-Naphthalenol, 5,6,7,8-tetrahydro-6-(methylpropylamino)-
CAS Number:
87857-18-9
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
IUPAC Name:
6-[methyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
InChI:
InChI=1S/C14H21NO/c1-3-9-15(2)12-7-8-13-11(10-12)5-4-6-14(13)16/h4-6,12,16H,3,7-10H2,1-2H3
InChI Key:
FLRVRTHAOXMKPH-UHFFFAOYSA-N
SMILES:
CCCN(C1CCc2c(C1)cccc2O)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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