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1,3-Diaminopropane

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Name

1,3-Diaminopropane

EINECS 203-702-7
CAS No. 109-76-2 Density 0.867 g/cm3
Solubility SOLUBLE Melting Point -12 °C
Formula C3H10N2 Boiling Point 135.5 °C at 760 mmHg
Molecular Weight 74.15 Flash Point 48.9 °C
Transport Information UN 2922 8/PG 2 Appearance colourless liquid
Safety 26-36/37/39-45-25-16 Risk Codes 10-22-24-35
Molecular Structure Molecular Structure of 109-76-2 (1,3-Diaminopropane) Hazard Symbols ToxicT,CorrosiveC
Synonyms

1,3-Diamino-n-propane;1,3-Propylenediamine;1,3-Trimethylenediamine;3-Aminopropylamine;DAP;NSC 8154;Trimethylenediamine;a,w-Propanediamine;1,3-Propanediamine;

 

1,3-Diaminopropane Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Diaminopropane 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) Effect 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.

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