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786600-48-4

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Basic Information
CAS No.: 786600-48-4
Name: 2-amino-1-(3,4-dimethylphenyl)ethanol
Article Data: 3
Molecular Structure:
Molecular Structure of 786600-48-4 (2-amino-1-(3,4-dimethylphenyl)ethanol)
Formula: C10H15NO
Molecular Weight: 165.235
Synonyms: alpha-(Aminomethyl)-3,4-dimethylbenzenemethanol
Density: 1.054 g/cm3
Boiling Point: 318.335 °C at 760 mmHg
Flash Point: 146.324 °C
PSA: 46.25000
LogP: 1.99580
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Specification

The 2-amino-1-(3,4-dimethylphenyl)ethanol is an organic compound with the formula C10H15NO. The systematic name of this chemical is 2-amino-1-(2,5-dimethylphenyl)ethanol. With the CAS registry number 786600-48-4, it is also named as alpha-(Aminomethyl)-3,4-dimethylbenzenemethanol.

Physical properties about 2-amino-1-(3,4-dimethylphenyl)ethanol are: (1)ACD/LogP: 0.94; (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: 4; (9)Polar Surface Area: 46.25 ?2; (10)Index of Refraction: 1.558; (11)Molar Refractivity: 50.525 cm3; (12)Molar Volume: 156.733 cm3; (13)Polarizability: 20.03×10-24cm3; (14)Surface Tension: 43.965 dyne/cm; (15)Density: 1.054 g/cm3; (16)Flash Point: 146.324 °C; (17)Enthalpy of Vaporization: 59.103 kJ/mol; (18)Boiling Point: 318.335 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(C)cc1C(O)CN
(2)InChI: InChI=1/C10H15NO/c1-7-3-4-8(2)9(5-7)10(12)6-11/h3-5,10,12H,6,11H2,1-2H3
(3)InChIKey: NNWGBFPYKKWOIO-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H15NO/c1-7-3-4-8(2)9(5-7)10(12)6-11/h3-5,10,12H,6,11H2,1-2H3
(5)Std. InChIKey: NNWGBFPYKKWOIO-UHFFFAOYSA-N