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4-Amino-3-(3,4-dichlorophenyl)-1-butanol

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Name

4-Amino-3-(3,4-dichlorophenyl)-1-butanol

EINECS N/A
CAS No. 152298-51-6 Density 1.293 g/cm3
PSA 46.25000 LogP 3.11840
Solubility N/A Melting Point N/A
Formula C10H13Cl2NO Boiling Point 359.377 °C at 760 mmHg
Molecular Weight 234.125 Flash Point 171.146 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 152298-51-6 (4-Amino-3-(3,4-dichlorophenyl)-1-butanol) Hazard Symbols N/A
Synonyms

2-(3,4-Dichlorophenyl)-4-hydroxybutylamine;4-Amino-3-(3,4-dichlorophenyl)-1-butanol;

Article Data 7

4-Amino-3-(3,4-dichlorophenyl)-1-butanol Specification

The systematic name of 4-Amino-3-(3,4-dichlorophenyl)-1-butanol is 4-Amino-3-(3,4-dichlorophenyl)butan-1-ol. With the CAS registry number 152298-51-6, it is also named as 2-(3,4-Dichlorophenyl)-4-hydroxybutylamine. In addition, its molecular formula is C10H13Cl2NO and its molecular weight is 234.12. 

The other characteristics of 4-Amino-3-(3,4-dichlorophenyl)-1-butanol can be summarized as: (1)Nominal mass: 233; (2)Average mass: 234.1223; (3)Monoisotopic mass: 233.037419; (4)ACD/LogP: 1.94; (5)# of Rule of 5 Violations: 0; (6)H bond acceptors: 2; (7)H bond donors: 3; (8)Freely Rotating Bonds: 6; (9)Polar Surface Area: 46.25 Å2; (10)Index of Refraction: 1.576; (11)Molar Refractivity: 59.931 cm3; (12)Molar Volume: 181.097 cm3; (13)Polarizability: 23.758×10-24cm3; (14)Surface Tension: 49.191 dyne/cm; (15)Density: 1.293 g/cm3; (16)Flash Point: 171.146 °C; (17)Enthalpy of Vaporization: 63.834 kJ/mol; (18)Boiling Point: 359.377 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1ccc(cc1Cl)C(CCO)CN
(2)InChI:InChI=1/C10H13Cl2NO/c11-9-2-1-7(5-10(9)12)8(6-13)3-4-14/h1-2,5,8,14H,3-4,6,13H2
(3)InChIKey:LGIGCDLFWQIHLQ-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C10H13Cl2NO/c11-9-2-1-7(5-10(9)12)8(6-13)3-4-14/h1-2,5,8,14H,3-4,6,13H2
(5)Std. InChIKey:LGIGCDLFWQIHLQ-UHFFFAOYSA-N

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