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6323-82-6

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Basic Information
CAS No.: 6323-82-6
Name: 1,3-DICHLORO-2-PROPANOL
Molecular Structure:
Molecular Structure of 6323-82-6 (1,3-DICHLORO-2-PROPANOL)
Formula: C8H15N
Molecular Weight: 125.2114
Synonyms: 2-Butynylamine,N,N-diethyl- (6CI,8CI);NSC 34135;
EINECS: 202-491-9
Density: 0.828 g/cm3
Melting Point: −4 °C(lit.)
Boiling Point: 154.8 °C at 760 mmHg
Flash Point: 39.7 °C
Appearance: Colorless to yellow Liquid
Hazard Symbols: R10:Flammable.; R34:Causes burns.;
Risk Codes: 45-21-25
Safety: 53-45
PSA: 3.24000
LogP: 1.35150
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Specification

The 2-Butyn-1-amine,N,N-diethyl-, with the CAS registry number 6323-82-6, is also known as 1-Diethylamino-2-butyne. This chemical's molecular formula is C8H15N and molecular weight is 125.120449. Its IUPAC name is called N,N-diethylbut-2-yn-1-amine.

Physical properties of 2-Butyn-1-amine,N,N-diethyl-: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): -0.76; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.47; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 22.37; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.452; (11)Molar Refractivity: 40.83 cm3; (12)Molar Volume: 151.1 cm3; (13)Surface Tension: 30.1 dyne/cm; (14)Density: 0.828 g/cm3; (15)Flash Point: 39.7 °C; (16)Enthalpy of Vaporization: 39.15 kJ/mol; (17)Boiling Point: 154.8 °C at 760 mmHg; (18)Vapour Pressure: 3.13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)CC#CC
(2)InChI: InChI=1S/C8H15N/c1-4-7-8-9(5-2)6-3/h5-6,8H2,1-3H3
(3)InChIKey: GZDWCJZYZWTVCL-UHFFFAOYSA-N