CAS No.109-76-2,1,3-Diaminopropane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	109-76-2
Name:	1,3-Diaminopropane
Article Data:	86

Formula:	C₃H₁₀N₂
Molecular Weight:	74.1258
Synonyms:	1,3-Diamino-n-propane;1,3-Propylenediamine;1,3-Trimethylenediamine;3-Aminopropylamine;DAP;NSC 8154;Trimethylenediamine;a,w-Propanediamine;1,3-Propanediamine;
EINECS:	203-702-7
Density:	0.867 g/cm³
Melting Point:	-12 °C
Boiling Point:	135.5 °C at 760 mmHg
Flash Point:	48.9 °C
Solubility:	SOLUBLE
Appearance:	colourless liquid
Hazard Symbols:	T,C
Risk Codes:	10-22-24-35
Safety:	26-36/37/39-45-25-16
Transport Information:	UN 2922 8/PG 2
PSA:	52.04000
LogP:	0.69450

Synthetic route

: 156-87-6
propan-1-ol-3-amine

: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
	95%
With ammonia; chlorocarbonylhydrido[4,5-bis(dicyclohexylphosphinomethyl)acridine]ruthenium(II) In toluene at 135℃; under 26402.6 Torr; for 12h; Autoclave; Inert atmosphere;
With chlorocarbonylhydrido[4,5-bis(dicyclohexylphosphinomethyl)acridine]ruthenium(II); ammonia In toluene at 135℃; under 26402.6 Torr; for 12h; Autoclave; Inert atmosphere;

: C19H26N2O2

: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
With hydrogen; acetic acid In methanol	89%

: 4870-73-9
2,2-dimethyl-1,1-bis(2-cyanoethyl)hydrazine

A: 35513-93-0
N1-(cyanoethyl)-1,3-propanediamine

B: 22157-84-2
1,1-dimethyl-2-(3-aminopropyl)hydrazine

C: 109-76-2
Trimethylenediamine

D: 84714-27-2
2,2-dimethyl-1,1-bis(3-aminopropyl)hydrazine

Conditions

Conditions	Yield
With hydrogen; nickel In ethanol Catalytic hydrogenation; Further byproducts given;	A n/a B n/a C n/a D 66.2%

...Expand

: C12H28CrN5O(2+)

A: 4916-58-9
1,2-di-(3-pyridyl)-ethane

B: 108-99-6
3-Methylpyridine

C: 14873-01-9
chromium(III) hexahydrate cation

D: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
In perchloric acid Kinetics; (N2); decompn. of Cr complex in 1 M HClO4 depending on temp. under anaerobic conditions; not isolated, monitored by UV;	A 20% B 65% C n/a D n/a
In perchloric acid Kinetics; decompn. of Cr complex in 1 M HClO4 depending on temp. under aerobic conditions; not isolated, monitored by UV;	A 38% B 11% C n/a D n/a

...Expand

: 110-94-1
1,5-pentanedioic acid

: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
With chloroform; tris-(2-chloro-ethyl)-amine; sulfuric acid at 45℃;

: 151-18-8
2-cyanoethylamine

: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
With sodium-potassium alloy; butan-1-ol
With ammonia; hydrogen; nickel at 90℃; under 88260.9 Torr;

: 88192-19-2
3-azidopropylamine

: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
With hydrogenchloride im CO2-Strom;
With hydrogenchloride; tin(ll) chloride

: 3424-60-0
pentanediamide

: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
With potassium hypobromite at 0 - 60℃;

: 18664-94-3
butanediol bis-(propionitrile)ether

: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
With ammonia; water; nickel at 100℃; Hydrogenation.unter Druck;

: 64624-44-8
pentanedioyl azide

: 109-76-2
Trimethylenediamine

Conditions

Conditions	Yield
With hydrogenchloride; ethanol at 100 - 110℃;

Raw Materials

64624-44-8

56-23-5

7732-18-5

107-02-8

503-29-7

64-17-5

3424-60-0

109-64-8

Downstream Products

352-92-1

Total:88 Page 1 of 3 1 2 3 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 1,3-Diaminopropane is an organic compound with the formula C₃H₁₀N₂. The IUPAC name of this chemical is propane-1,3-diamine. With the CAS registry number 109-76-2, it is also named as 1,3-Diamino-n-propane. The product's categories are Amines; alpha,omega-Alkanediamines; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes. Besides, it is a colourless liquid, which should be stored in a cool dry and ventilated place. It can be used not only for medicine, pesticide synthesis, auxiliary materials of paper making, textile and leather industries, but also for the synthesis of epoxy curing agent.

Physical properties about 1,3-Diaminopropane are: (1)ACD/LogP: -1.42; (2)ACD/LogD (pH 5.5): -5.52; (3)ACD/LogD (pH 7.4): -5.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 6.48 Å²; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 23.01 cm³; (14)Molar Volume: 85.4 cm³; (15)Polarizability: 9.12×10^-24cm³; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 0.867 g/cm³; (18)Flash Point: 48.9 °C; (19)Enthalpy of Vaporization: 40.85 kJ/mol; (20)Boiling Point: 135.5 °C at 760 mmHg; (21)Vapour Pressure: 7.7 mmHg at 25°C.

Preparation: this chemical can be prepared by dibromopropane and saturated ammonia and ethanol.

Uses of 1,3-Diaminopropane: it can be used to produce 1,5-diaza-bicyclo[3.1.0]hexane at temperature of 0 °C. It will need reagent aq. HCl and NaOCl with reaction time of 24 hours.

When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause severe burns. When you are using it, wear suitable gloves and eye/face protection, keep away from sources of ignition - No smoking and avoid contact with eyes In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCN
(2)InChI: InChI=1/C3H10N2/c4-2-1-3-5/h1-5H2
(3)InChIKey: XFNJVJPLKCPIBV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
(5)Std. InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	296mg/kg (296mg/kg)	Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.
rabbit	LD50	skin	200uL/kg (0.2mL/kg)	American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LD50	oral	350uL/kg (0.35mL/kg)	American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.