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| CAS No.: | 78-90-0 |
|---|---|
| Name: | 1,2-Diaminopropane |
| Article Data: | 57 |
| Molecular Structure: | |
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|
|
| Formula: | C3H10N2 |
| Molecular Weight: | 74.1258 |
| Synonyms: | 1-Methyl-1,2-diaminoethane;2,3-Diaminopropane;N,N'-Dimethyl-1,2-diaminopropane;Propylenediamine;1,2-Propanediamine; |
| EINECS: | 201-155-9 |
| Density: | 0.863 g/cm3 |
| Melting Point: | -37 °C |
| Boiling Point: | 117.3 °C at 760 mmHg |
| Flash Point: | 33.3 °C |
| Solubility: | SOLUBLE |
| Appearance: | A colorless liquid with an ammonia-like odor. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-21/22-35 |
| Safety: | 26-37/39-45 |
| Transport Information: | UN 2258 8/PG 2 |
| PSA: | 52.04000 |
| LogP: | 0.69290 |
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Specification
The CAS registry number of 1,2-Diaminopropane is 78-90-0. Its EINECS registry number is 201-155-9. The IUPAC name is propane-1,2-diamine. In addition, the molecular formula is C3H10N2 and the molecular weight is 74.12. It is also called 1-methyl-1,2-diaminoethane. What's more, it is a kind of clear liquid and belongs to the classes of Intermediates of Dyes and Pigments; Aliphatics; Amines; Isotope Labeled Compounds. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 2; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 52.04 Å2; (9)Index of Refraction: 1.448; (10)Molar Refractivity: 22.97 cm3; (11)Molar Volume: 85.7 cm3; (12)Polarizability: 9.1 ×10-24cm3; (13)Surface Tension: 33.8 dyne/cm; (14)Density: 0.863 g/cm3; (15)Flash Point: 33.3 °C; (16)Enthalpy of Vaporization: 35.56 kJ/mol; (17)Boiling Point: 117.3 °C at 760 mmHg; (18)Vapour Pressure: 17.5 mmHg at 25°C.
Preparation of 1,2-Diaminopropane: it can be prepared by 1,2-dichloropropane and ammonia through amination reaction. Add dichloropropane and ammonia into reactor. The reaction temperature should be controlled about 150 °C. And the reaction pressure should be maintained at 2.45MPa. Then through the operation of neutralization, enrichment, desalination and distillation you can get the product. The yield is about 65-70%. The equation is as follows:
Uses of 1,2-Diaminopropane: this chemical can be used as resin curing agent, rubber sulfide accelerator, mineral processing reagents, metal passivation agent and analysis reagent. And it can be used in the production of 1,2-propyldiaminetetraacetic acid in pharmaceutical industry. In addition, it can react with 2-methyl-4,5-dihydro-1H-imidazole to get 2,4-dimethyl-4,5-dihydro-1H-imidazole. The yield is about 82% by heating.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and can cause severe burns. And it is harmful by inhalation and in contact with skin. During 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. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: CC(N)CN
(2)InChI: InChI=1/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
(3)InChIKey: AOHJOMMDDJHIJH-UHFFFAOYAH
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 593mg/kg (593mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977. | |
| rabbit | LD50 | skin | 500uL/kg (0.5mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | oral | 2230mg/kg (2230mg/kg) | Union Carbide Data Sheet. Vol. 3/12/1969, | |
| rat | LDLo | subcutaneous | 909mg/kg (909mg/kg) | Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 17, Pg. 59, 1915. |