CAS No.152298-51-6,4-Amino-3-(3,4-dichlorophenyl)-1-butanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	152298-51-6
Name:	4-Amino-3-(3,4-dichlorophenyl)-1-butanol
Article Data:	7

Formula:	C₁₀H₁₃Cl₂NO
Molecular Weight:	234.125
Synonyms:	2-(3,4-Dichlorophenyl)-4-hydroxybutylamine;4-Amino-3-(3,4-dichlorophenyl)-1-butanol;
Density:	1.293 g/cm³
Boiling Point:	359.377 °C at 760 mmHg
Flash Point:	171.146 °C
PSA:	46.25000
LogP:	3.11840

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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