Name: (S)-2-AMINO-5-METHOXYTETRALIN HYDROCHLORIDE
SKU: 105086-80-4

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Basic Information

Molecular Structure:
CAS No.:	105086-80-4
Name:	(S)-2-AMINO-5-METHOXYTETRALIN HYDROCHLORIDE
Article Data:	7

Formula:	C₁₁H₁₅NO
Molecular Weight:	177.246
Synonyms:	2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-, (S)-;(S)-1,2,3,4-Tetrahydro-5-methoxy-2-naphthalenamine;(S)-2-Amino-5-methoxytetralin;
Density:	1.056 g/cm³
Boiling Point:	309.109 °C at 760 mmHg
Flash Point:	147.448 °C
PSA:	35.25000
LogP:	2.21150

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Specification

The 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-, (2S)- is an organic compound with the formula C₁₁H₁₅NO. The systematic name of this chemical is (2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine. With the CAS registry number 105086-80-4, it is also named as (S)-2-Amino-5-methoxytetralin hydrochloride. In addition, the molecular weight is 213.7.

The other characteristics of 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-, (2S)- can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.25 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 53.27 cm³; (15)Molar Volume: 167.836 cm³; (16)Polarizability: 21.118×10^-24 cm³; (17)Surface Tension: 39.238 dyne/cm; (18)Density: 1.056 g/cm³; (19)Flash Point: 147.448 °C; (20)Enthalpy of Vaporization: 54.984 kJ/mol; (21)Boiling Point: 309.109 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O(c1cccc2c1CC[C@H](N)C2)C
2. InChI:InChI=1/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3/t9-/m0/s1
3. InChIKey:SIHPGAYIYYGOIP-VIFPVBQEBG
4. Std. InChI:InChI=1S/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3/t9-/m0/s1
5. Std. InChIKey:SIHPGAYIYYGOIP-VIFPVBQESA-N