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87394-70-5 | 1-Naphthalenol, 7-(ethylamino)-5,6,7,8-tetrahydro-, hydrobromide
CAS No: 87394-70-5 Catalog No: AG004JV8 MDL No:
Product Description
Catalog Number:
AG004JV8
Chemical Name:
1-Naphthalenol, 7-(ethylamino)-5,6,7,8-tetrahydro-, hydrobromide
CAS Number:
87394-70-5
Molecular Formula:
C12H18BrNO
Molecular Weight:
272.1814
IUPAC Name:
7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
InChI:
InChI=1S/C12H17NO.BrH/c1-2-13-10-7-6-9-4-3-5-12(14)11(9)8-10;/h3-5,10,13-14H,2,6-8H2,1H3;1H
InChI Key:
WGRORNKXOKJIHG-UHFFFAOYSA-N
SMILES:
CCNC1CCc2c(C1)c(O)ccc2.Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.186g/mol
Monoisotopic Mass:
271.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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