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3-(4-Amino-3,5-diethylphenyl)propan-1-ol

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Name

3-(4-Amino-3,5-diethylphenyl)propan-1-ol

EINECS N/A
CAS No. 1076198-78-1 Density 1.015 g/cm3
PSA 46.25000 LogP 2.89970
Solubility N/A Melting Point N/A
Formula C13H21NO Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 207.31 Flash Point 167 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1076198-78-1 (3-(4-Amino-3,5-diethylphenyl)propan-1-ol) Hazard Symbols N/A
Synonyms

3-(4-AMINO-3,5-DIETHYLPHENYL)PROPAN-1-OL;4-AMino-3,5-diethyl-benzenepropanol

 

3-(4-Amino-3,5-diethylphenyl)propan-1-ol Specification

The systematic name of this chemical is 3-(4-Amino-3,5-diethylphenyl)propan-1-ol. With the CAS registry number 1076198-78-1, the molecular formula of chemical is C13H21NO and the molecular weight is 207.31. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.58; (5)#H bond acceptors: 2; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 46.25 Å2; (9)Index of Refraction: 1.552; (10)Molar Refractivity: 65.3 cm3; (11)Molar Volume: 204.1 cm3; (12)Polarizability: 25.88 ×10-24cm3; (13)Surface Tension: 41.8 dyne/cm; (14)Density: 1.015 g/cm3; (15)Flash Point: 167 °C; (16)Enthalpy of Vaporization: 63.03 kJ/mol; (17)Boiling Point: 352.5 °C at 760 mmHg; (18)Vapour Pressure: 1.42E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cc(cc(c1N)CC)CCCO
(2)Std. InChI: InChI=1S/C13H21NO/c1-3-11-8-10(6-5-7-15)9-12(4-2)13(11)14/h8-9,15H,3-7,14H2,1-2H3
(3)Std. InChIKey: JEAUOADZGGZCFQ-UHFFFAOYSA-N

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