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42330-95-0

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Basic Information
CAS No.: 42330-95-0
Name: 4-Chlorobutan-1-amine
Molecular Structure:
Molecular Structure of 42330-95-0 (4-Chlorobutan-1-amine)
Formula: C4H10ClN
Molecular Weight: 107.583
Synonyms: 4-Aminobutylchloride;4-Chloro-1-butanamine;
Density: 0.981g/cm3
Boiling Point: 154 °C at 760 mmHg
Flash Point: 46.9 °C
PSA: 26.02000
LogP: 1.66440
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Specification

The 4-Chlorobutan-1-amine, with CAS registry number 42330-95-0, has the systematic name of 4-chlorobutan-1-amine. Besides this, it is also called 1-butanamine, 4-chloro-. And the chemical formula of this chemical is C4H10ClN. And its molecular weight is 107.58.

Physical properties of 4-Chlorobutan-1-amine: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.02 Å2; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 28.96 cm3; (13)Molar Volume: 109.6 cm3; (14)Polarizability: 11.48×10-24cm3; (15)Surface Tension: 31 dyne/cm; (16)Enthalpy of Vaporization: 39.08 kJ/mol; (17)Vapour Pressure: 3.24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCN
(2)InChI: InChI=1/C4H10ClN/c5-3-1-2-4-6/h1-4,6H2
(3)InChIKey: OEOOQMSPHMFXJL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C4H10ClN/c5-3-1-2-4-6/h1-4,6H2
(5)Std. InChIKey: OEOOQMSPHMFXJL-UHFFFAOYSA-N