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10563-23-2

Basic Information
CAS No.: 10563-23-2
Name: N-Ethyl-1,3-propanediamine
Article Data: 4
Molecular Structure:
Molecular Structure of 10563-23-2 (N-Ethyl-1,3-propanediamine)
Formula: C5H14N2
Molecular Weight: 102.18
Synonyms: 1,3-Propanediamine,N-ethyl- (7CI,8CI,9CI);1-Amino-3-(ethylamino)propane;3-(Ethylamino)propylamine;N-(3-Aminopropyl)ethylamine;N-Ethyl-1,3-propanediamine;N-Ethylpropylylenediamine;N-Ethyltrimethylenediamine;NSC 166312;
EINECS: 234-146-3
Density: 0.826 g/cm3
Boiling Point: 146.6 °C at 760 mmHg
Flash Point: 44.4 °C
Appearance: Colorless to light yellow liquid
Hazard Symbols: IrritantXi
PSA: 38.05000
LogP: 1.03590
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  • N-Ethyl-1,3-propanediamine

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Specification

The N-Ethyl-1,3-propanediamine with the CAS number 10563-23-2 is also called 1,3-Propanediamine,N1-ethyl-. The systematic name is N-ethylpropane-1,3-diamine. Its molecular formula is C5H14N2. The EINECS registry number is 234-146-3. The product category is Polyamines. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the N-Ethyl-1,3-propanediamine are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -4.19; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 32.34 cm3; (15)Molar Volume: 123.5 cm3; (16)Polarizability: 12.82×10-24cm3; (17)Surface Tension: 29.5 dyne/cm; (18)Enthalpy of Vaporization: 38.36 kJ/mol; (19)Vapour Pressure: 4.59 mmHg at 25°C.

Uses: This chemical can react with formaldehyde to prepare 1-ethylhexahydropyrimidine. This reaction needs solvent H2O at ambient temperature. The reaction time is 1.0 hour. The yield is 64%.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCNCC
(2)InChI: InChI=1/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3
(3)InChIKey: ODGYWRBCQWKSSH-UHFFFAOYAX