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91245-72-6

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Basic Information
CAS No.: 91245-72-6
Name: 1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLMETHYLAMINE
Article Data: 6
Molecular Structure:
Molecular Structure of 91245-72-6 (1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLMETHYLAMINE)
Formula: C11H15N
Molecular Weight: 161.247
Synonyms: C-(1,2,3,4-Tetrahydro-naphthalen-1-yl)-methylamine;
Density: 1.001 g/cm3
Boiling Point: 272.6 °C at 760 mmHg
Flash Point: 123.7 °C
PSA: 26.02000
LogP: 2.76550
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Specification

The systematic name of 1,2,3,4-Tetrahydro-1-naphthalenemethanamine is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine. With the CAS registry number 91245-72-6, it is also named as C-(1,2,3,4-Tetrahydro-naphthalen-1-yl)-methylamine. In addition, its molecular formula is C11H15N and its molecular weight is 161.24.

The other characteristics of 1,2,3,4-Tetrahydro-1-naphthalenemethanamine can be summarized as: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): 0.19; (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): 2.43; (9)H bond acceptors: 1; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 51.26 cm3; (15)Molar Volume: 161 cm3; (16)Polarizability: 20.32×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 123.7 °C; (20)Enthalpy of Vaporization: 51.09 kJ/mol; (21)Boiling Point: 272.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00603 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccc2c(c1)CCCC2CN
(2)InChI:InChI=1/C11H15N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8,12H2
(3)InChIKey:FSEUPTSLGGJFNX-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C11H15N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8,12H2
(5)Std. InChIKey:FSEUPTSLGGJFNX-UHFFFAOYSA-N