CAS No.13531-52-7,N-(2-Aminoethyl)-1,3-propanediamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13531-52-7
Name:	N-(2-Aminoethyl)-1,3-propanediamine
Article Data:	15

Formula:	C₅H₁₅N₃
Molecular Weight:	117.194
Synonyms:	1,3-Propanediamine,N-(2-aminoethyl)- (6CI,7CI,8CI,9CI);1,4,8-Triazaoctane;1,6-Diamino-3-azahexane;3-(Aminopropyl)ethylenediamine;3-Azahexane-1,6-diamine;3-[(2-Aminoethyl)amino]propylamine;N-(2-Aminoethyl)-1,3-diaminopropane;N-(2-Aminoethyl)-1,3-propanediamine;N-(3-Aminoethyl)-1,3-propanediamine;N-(3-Aminopropyl)-1,2-diaminoethane;N-(3-Aminopropyl)ethylenediamine;N3 Amine;
EINECS:	236-882-0
Density:	0.921 g/cm³
Melting Point:	10 °C
Boiling Point:	218.4 °C at 760 mmHg
Flash Point:	96.1 °C
Appearance:	clear liquid
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-27-28-36/37/39-45
PSA:	64.07000
LogP:	0.67500

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Specification

The 1,3-Propanediamine,N1-(2-aminoethyl)- is an organic compound with the formula C₅H₁₅N₃. The IUPAC name of this chemical is N'-(2-aminoethyl)propane-1,3-diamine. With the CAS registry number 13531-52-7, it is also named as (2-aminoethyl)(3-aminopropyl)amine. The product's categories are Nitrogen Compounds; Organic Building Blocks; Polyamines. Besides, it is clear liquid, which should be stored in a closed cool and dry place.

Physical properties about 1,3-Propanediamine,N1-(2-aminoethyl)- are: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.9; (4)ACD/LogD (pH 7.4): -5.52; (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: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.72 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 35.87 cm³; (15)Molar Volume: 127.2 cm³; (16)Polarizability: 14.22×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 0.921 g/cm³; (19)Flash Point: 96.1 °C; (20)Enthalpy of Vaporization: 45.48 kJ/mol; (21)Boiling Point: 218.4 °C at 760 mmHg; (22)Vapour Pressure: 0.126 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(2-amino-ethyl)-b-alanine nitrile. This reaction will need reagent H₂, NH₃, catalyst Ni and solvent ethanol.

Uses of 1,3-Propanediamine,N1-(2-aminoethyl)-: it can be used to produce 4,7,8,12,15,16-hexaazaperhydroperylene at ambient temperature. It will need reagent H₂O with reaction time of 7 dayd. The yield is about 39%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. After contact with skin, take off immediately all contaminated clothing, and wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCNCCN
(2)InChI: InChI=1/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2
(3)InChIKey: DTSDBGVDESRKKD-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2
(5)Std. InChIKey: DTSDBGVDESRKKD-UHFFFAOYSA-N