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89140-85-2

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Basic Information
CAS No.: 89140-85-2
Name: 5-AMINO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-OL
Article Data: 4
Molecular Structure:
Molecular Structure of 89140-85-2 (5-AMINO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-OL)
Formula: C11H15NO
Molecular Weight: 177.246
Synonyms: 5H-Benzocyclohepten-6-ol,5-amino-6,7,8,9-tetrahydro-, trans- (9CI);5-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol;
Density: 1.118 g/cm3
Boiling Point: 325.62 °C at 760 mmHg
Flash Point: 150.73 °C
PSA: 46.25000
LogP: 2.08390
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Specification

The CAS register number of 5-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is 89140-85-2. It also can be called as 5H-Benzocyclohepten-6-ol,5-amino-6,7,8,9-tetrahydro-, (5R,6R)-rel- and the IUPAC name about this chemical is 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol. The molecular formula about this chemical is C11H15NO and molecular weight is 177.24.

Physical properties about 5-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol are: (1)ACD/LogP: 1.59; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 2; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.25Å2; (10)Index of Refraction: 1.58; (11)Molar Refractivity: 52.794 cm3; (12)Molar Volume: 158.559 cm3; (13)Polarizability: 20.929x10-24cm3; (14)Surface Tension: 44.773 dyne/cm; (15)Enthalpy of Vaporization: 59.934 kJ/mol; (16)Boiling Point: 325.62 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: NC1c2ccccc2CCCC1O
(2)InChI: InChI=1/C11H15NO/c12-11-9-6-2-1-4-8(9)5-3-7-10(11)13/h1-2,4,6,10-11,13H,3,5,7,12H2
(3)InChIKey: BTRCHTMVMNPPSF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H15NO/c12-11-9-6-2-1-4-8(9)5-3-7-10(11)13/h1-2,4,6,10-11,13H,3,5,7,12H2
(5)Std. InChIKey: BTRCHTMVMNPPSF-UHFFFAOYSA-N