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177017-69-5

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Basic Information
CAS No.: 177017-69-5
Name: (S)-(-)-6-METHOXY 2-AMINOTETRALIN
Article Data: 21
Molecular Structure:
Molecular Structure of 177017-69-5 ((S)-(-)-6-METHOXY 2-AMINOTETRALIN)
Formula: C11H15NO
Molecular Weight: 177.246
Synonyms: 2-Naphthalenamine,1,2,3,4-tetrahydro-6-methoxy-, (S)-;
Density: 1.056 g/cm3
Boiling Point: 299.6 ºC at 760 mmHg
Flash Point: 139.7 ºC
PSA: 35.25000
LogP: 2.21150
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Specification

The (S)-(-)-6-Methoxy 2-aminotetralin is an organic compound with the formula C11H15NO. The systematic name of this chemical is (2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine. With the CAS registry number 177017-69-5, it is also named as (2S)-1,2,3,4-Tetrahydro-6-methoxy-2-naphthalenamine. The molecular weight is 177.24.

The other characteristics of (S)-(-)-6-Methoxy 2-aminotetralin can be summarized as: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.25 Å2; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 53.27 cm3; (13)Molar Volume: 167.8 cm3; (14)Polarizability: 21.11×10-24 cm3; (15)Surface Tension: 39.2 dyne/cm; (16)Density: 1.056 g/cm3; (17)Flash Point: 139.7 °C; (18)Enthalpy of Vaporization: 53.96 kJ/mol; (19)Boiling Point: 299.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00118 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:COc1ccc2C[C@@H](N)CCc2c1
2. InChI:InChI=1/C11H15NO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3/t10-/m0/s1
3. InChIKey:WASIYUSITZITPW-JTQLQIEIBR
4. Std. InChI:InChI=1S/C11H15NO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3/t10-/m0/s1
5. Std. InChIKey:WASIYUSITZITPW-JTQLQIEISA-N