Propanenitrile,3-[(2-aminoethyl)amino]- supplier

Name
PROPANENITRILE, 3-[(2-AMINOETHYL)AMINO]-
EINECS 245-109-6
CAS No. 22584-31-2
Article Data10
CAS DataBase
Density 0.967 g/cm³
Solubility
Melting Point
Formula C₅H₁₁N₃
Boiling Point 274.4 °C at 760 mmHg
Molecular Weight 113.162
Flash Point 119.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionitrile,3-[(2-aminoethyl)amino]- (6CI,7CI,8CI);3-[(2-Aminoethyl)amino]propionitrile;N-(2-Cyanoethyl)ethylenediamine;
PSA 61.84000
LogP 0.53958

Propanenitrile,3-[(2-aminoethyl)amino]- Specification

The CAS registry number of Propanenitrile,3-[(2-aminoethyl)amino]- is 22584-31-2. This chemical is also named as 4,7-Diazaheptane-1-nitrile. Its EINECS registry number is 245-109-6. In addition, its molecular formula is C₅H₁₁N₃ and molecular weight is 113.16094. Its IUPAC name is called 3-(2-aminoethylamino)propanenitrile.

Physical properties about Propanenitrile,3-[(2-aminoethyl)amino]- are: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.81; (4)ACD/LogD (pH 7.4): -3.51; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 32.25 cm³; (14)Molar Volume: 116.9 cm³; (15)Surface Tension: 41.2 dyne/cm; (16)Density: 0.967 g/cm³; (17)Flash Point: 119.7 °C; (18)Enthalpy of Vaporization: 51.28 kJ/mol; (19)Boiling Point: 274.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00542 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNCCN
(2)InChI: InChI=1/C5H11N3/c6-2-1-4-8-5-3-7/h8H,1,3-5,7H2
(3)InChIKey: NSQSYCXRUVZPKI-UHFFFAOYAB

Product Name

PROPANENITRILE, 3-[(2-AMINOETHYL)AMINO]-

Propanenitrile,3-[(2-aminoethyl)amino]- Specification

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