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169106-12-1 | 1-Naphthalenol, 1,2,3,4-tetrahydro-2-(methylamino)-, (1S-trans)- (9CI)
CAS No: 169106-12-1 Catalog No: AG001YHU MDL No:
Product Description
Catalog Number:
AG001YHU
Chemical Name:
1-Naphthalenol, 1,2,3,4-tetrahydro-2-(methylamino)-, (1S-trans)- (9CI)
CAS Number:
169106-12-1
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
(1S,2S)-2-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
InChI:
InChI=1S/C11H15NO/c1-12-10-7-6-8-4-2-3-5-9(8)11(10)13/h2-5,10-13H,6-7H2,1H3/t10-,11-/m0/s1
InChI Key:
HSCLCUPCAXXWTF-QWRGUYRKSA-N
SMILES:
CN[C@H]1CCc2c([C@@H]1O)cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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