-
Name
DIPROPARGYLAMINE
- EINECS 230-036-4
- CAS No. 6921-28-4
- Article Data5
- CAS DataBase
- Density 0.896 g/cm3
- Solubility
- Melting Point
- Formula C6H7N
- Boiling Point 176.6 °C at 760 mmHg
- Molecular Weight 93.1283
- Flash Point 43.3 °C
- Transport Information
- Appearance
- Safety 26-36/37/39-45
- Risk Codes 10-34
-
Molecular Structure
- Hazard Symbols C
- Synonyms 2-Propyn-1-amine,N-2-propynyl- (9CI);Di-2-propynylamine (6CI,7CI,8CI);4-Azahepta-1,6-diyne;Dipropargylamine;N,N-Di(prop-2-ynyl)amine;NSC 80652;
- PSA 12.03000
- LogP 0.23330
Dipropargylamine Specification
The 2-Propyn-1-amine,N-2-propyn-1-yl-, with the CAS registry number 6921-28-4, is also known as Di-2-propynylamine. Its EINECS number is 230-036-4. This chemical's molecular formula is C6H7N and formula weight is 93.13. What's more, its IUPAC name is N-prop-2-ynylprop-2-yn-1-amine.
Physical properties of 2-Propyn-1-amine,N-2-propyn-1-yl- are: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 3.6; (7)ACD/KOC (pH 7.4): 32.14; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 29.09 cm3; (14)Molar Volume: 103.9 cm3; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 0.896 g/cm3; (17)Flash Point: 43.3 °C; (18)Enthalpy of Vaporization: 41.3 kJ/mol; (19)Boiling Point: 176.6 °C at 760 mmHg; (20)Vapour Pressure: 1.08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CCNCC#C
(2)InChI: InChI=1S/C6H7N/c1-3-5-7-6-4-2/h1-2,7H,5-6H2
(3)InChIKey: RGSODMOUXWISAG-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 151mg/kg (151mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975. |
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