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| CAS No.: | 29602-39-9 |
|---|---|
| Name: | 2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE |
| Molecular Structure: | |
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| Formula: | C7H10N4O2 |
| Molecular Weight: | 182.182 |
| Synonyms: | 1,2-Ethanediamine,N-(5-nitro-2-pyridinyl)- (9CI);Pyridine, 2-[(2-aminoethyl)amino]-5-nitro-(8CI);(2-((5-Nitropyridin-2-yl)amino)ethyl)amine;(2-Aminoethyl)(5-nitro-2-pyridyl)amine;2-(b-Aminoethylamino)-5-nitropyridine;2-[(2-Aminoethyl)amino]-5-nitropyridine;N-(5-Nitropyridin-2-yl)ethane-1,2-diamine;N1-(5-Nitropyrid-2-yl)ethane-1,2-diamine; |
| EINECS: | 249-721-4 |
| Density: | 1.358 g/cm3 |
| Melting Point: | 126-128 °C(lit.) |
| Boiling Point: | 382.4 °C at 760 mmHg |
| Flash Point: | 185 °C |
| Appearance: | yellow to brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 96.76000 |
| LogP: | 1.65690 |
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Specification
This chemical is called 1,2-Ethanediamine,N1-(5-nitro-2-pyridinyl)-, and it's also named as 5-Nitro-2-pyridylaminoethyl-2-amine. With the molecular formula of C7H10N4O2, its molecular weight is 182.1799. The CAS registry number of this chemical is 29602-39-9. Additionally, its product categories are C7 and C8; Heterocyclic Building Blocks; Pyridines.
Other characteristics of the 1,2-Ethanediamine,N1-(5-nitro-2-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -0.59; (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): 2.81; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.19 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 48.66 cm3; (15)Molar Volume: 134.1 cm3; (16)Polarizability: 19.29×10-24cm3; (17)Surface Tension: 67.5 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 185 °C; (20)Enthalpy of Vaporization: 63.08 kJ/mol; (21)Boiling Point: 382.4 °C at 760 mmHg; (22)Vapour Pressure: 4.75E-06 mmHg at 25°C.
Uses of this chemical: The 1,2-Ethanediamine,N1-(5-nitro-2-pyridinyl)- could react with mitomycin A to obtain the C22H25N7O7. This reaction needs the solvent of CH2Cl2. The yield is 56 %. In addition, this reaction should be taken at ambient temperature.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cnc(NCCN)cc1
2.InChI: InChI=1/C7H10N4O2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13/h1-2,5H,3-4,8H2,(H,9,10)
3.InChIKey:ODHSPTHLPCXPTL-UHFFFAOYAM