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81185-36-6 | 1-Naphthalenol, 5,6,7,8-tetrahydro-7-(octylamino)-, hydrobromide
CAS No: 81185-36-6 Catalog No: AG005FBC MDL No:
Product Description
Catalog Number:
AG005FBC
Chemical Name:
1-Naphthalenol, 5,6,7,8-tetrahydro-7-(octylamino)-, hydrobromide
CAS Number:
81185-36-6
Molecular Formula:
C18H30BrNO
Molecular Weight:
356.3409
IUPAC Name:
7-(octylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
InChI:
InChI=1S/C18H29NO.BrH/c1-2-3-4-5-6-7-13-19-16-12-11-15-9-8-10-18(20)17(15)14-16;/h8-10,16,19-20H,2-7,11-14H2,1H3;1H
InChI Key:
MXCOTJFFMAGZRS-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC1CCc2c(C1)c(O)ccc2.Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.151g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.348g/mol
Monoisotopic Mass:
355.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and antifungal activities of novel 2-aminotetralin derivatives. | Journal of medicinal chemistry 20071101 |
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