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Name |
1H-Pyrrol-3-amine |
EINECS | N/A |
CAS No. | 29212-49-5 | Density | 1.172 g/cm3 |
PSA | 41.81000 | LogP | 1.17810 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H6N2 | Boiling Point | 258.982 °C at 760 mmHg |
Molecular Weight | 82.105 | Flash Point | 134.248 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Pyrrol-3-amine(9CI);3-AMinopyrrole;1H-Pyrrol-3-aMine |
Article Data | 1 |
3-amino pyrrole
1,3-cylohexanedione
5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-carbaldehyde
Conditions | Yield |
---|---|
In ethanol for 0.5h; Reflux; | 12 mg |
The 1H-Pyrrol-3-amine, with the CAS registry number 29212-49-5. It belongs to the product category of PYRROLE. This chemical's molecular formula is C4H6N2 and molecular weight is 82.1038. What's more, its systematic name which is also called 1H-Pyrrol-3-amine.
Physical properties about 1H-Pyrrol-3-amine are: (1)ACD/LogP: -0.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -1; (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): 4; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 24.922 cm3; (15)Molar Volume: 70.036 cm3; (16)Polarizability: 9.88×10-24 cm3; (17)Surface Tension: 57.327 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 134.248 °C; (20)Enthalpy of Vaporization: 49.661 kJ/mol; (21)Boiling Point: 258.982 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccnc1
(2) InChI: InChI=1/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2
(3) InChIKey: WAUGGYPDCQZJKK-UHFFFAOYAL