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1076198-78-1

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Basic Information
CAS No.: 1076198-78-1
Name: 3-(4-Amino-3,5-diethylphenyl)propan-1-ol
Molecular Structure:
Molecular Structure of 1076198-78-1 (3-(4-Amino-3,5-diethylphenyl)propan-1-ol)
Formula: C13H21NO
Molecular Weight: 207.31
Synonyms: 3-(4-AMINO-3,5-DIETHYLPHENYL)PROPAN-1-OL;4-AMino-3,5-diethyl-benzenepropanol
Density: 1.015 g/cm3
Boiling Point: 352.5 °C at 760 mmHg
Flash Point: 167 °C
PSA: 46.25000
LogP: 2.89970
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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use as primary a

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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