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84153-82-2

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Basic Information
CAS No.: 84153-82-2
Name: 4,4,4-TRIFLUOROBUTYLAMINE HYDROCHLORIDE 97
Article Data: 3
Molecular Structure:
Molecular Structure of 84153-82-2 (4,4,4-TRIFLUOROBUTYLAMINE HYDROCHLORIDE 97)
Formula: C4H9ClF3N
Molecular Weight: 163.57
Synonyms: 1-Butanamine,4,4,4-trifluoro-, hydrochloride (9CI);(4,4,4-Trifluorobutyl)aminehydrochloride;4,4,4-trifluorobutan-1-amine hydrochloride (1:1);1-butanamine, 4,4,4-trifluoro-, hydrochloride (1:1);
Melting Point: 130-131 °C(Solv: ethyl acetate (141-78-6))
Boiling Point: 67.1 °C at 760 mmHg
Flash Point: 3.6 °C
PSA: 26.02000
LogP: 2.78990
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Specification

The 1-Butanamine,4,4,4-trifluoro-, hydrochloride (1:1), with the CAS registry number 84153-82-2 has the systematic name of 4,4,4-trifluorobutan-1-amine hydrochloride (1:1). It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C4H9ClF3N.

The characteristics of 1-Butanamine,4,4,4-trifluoro-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.47; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 3.6 °C; (14)Enthalpy of Vaporization: 30.89 kJ/mol; (15)Boiling Point: 67.1 °C at 760 mmHg; (16)Vapour Pressure: 148 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.FC(F)(F)CCCN
(2)InChI: InChI=1/C4H8F3N.ClH/c5-4(6,7)2-1-3-8;/h1-3,8H2;1H
(3)InChIKey: QOTKGSVSGMIHGN-UHFFFAOYAJ