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Chemical Product CAS:52373-05-45-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

CAS:52373-05-4
5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

  • CAS No:

    52373-05-4
  • Name:

    5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
  • Molecular Formula:

    C11H15NO
  • Molecular Weight:

    177.2429
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5-(methylamino)-5,6,7,8-tetrahydronaphthalen- ( CASNO:52373-05-4 )

Identification and Related Records
Name:
5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CAS Registry number:
52373-05-4
Iupac name:
5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
Synonyms:
2-naphthalenol, 5,6,7,8-tetrahydro-5-(methylamino)-
5,6,7,8-Tetrahydro-5-(methylamino)-2-naphthalenol
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
Inchi:
InChI=1/C11H15NO/c1-12-11-4-2-3-8-7-9(13)5-6-10(8)11/h5-7,11-13H,2-4H2,1H3
Canonical SMILES:
CNC1CCCC2=C1C=CC(=C2)O
Chemical and Physical Properties
Density:
1.11g/cm3
Boiling Point:
330.3°C at 760 mmHg
Refractive Index:
1.583
Flash Point:
147.5°C
Computed Properties:
Molecular Weight:177.2429 [g/mol]
Molecular Formula:C11H15NO
XLogP3-AA:1.7
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:9
Exact Mass:177.115364
MonoIsotopic Mass:177.115364
Topological Polar Surface Area:32.3
Heavy Atom Count:13
Formal Charge:0
Complexity:172
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1.8
Conformer Sampling RMSD:0.6
CID Conformer Count:3
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