Product Name

  • Name

    1H-Pyrrol-3-amine(9CI)

  • EINECS
  • CAS No. 29212-49-5
  • Article Data1
  • CAS DataBase
  • Density 1.172 g/cm3
  • Solubility
  • Melting Point
  • Formula C4H6N2
  • Boiling Point 258.982 °C at 760 mmHg
  • Molecular Weight 82.105
  • Flash Point 134.248 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 29212-49-5 (1H-Pyrrol-3-amine(9CI))
  • Hazard Symbols
  • Synonyms 1H-Pyrrol-3-amine(9CI);3-AMinopyrrole;1H-Pyrrol-3-aMine
  • PSA 41.81000
  • LogP 1.17810

Synthetic route

3-amino pyrrole
29212-49-5

3-amino pyrrole

1,3-cylohexanedione
504-02-9

1,3-cylohexanedione

5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-carbaldehyde
39689-08-2

5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-carbaldehyde

(+)-9-[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]-2,4,5,6,7,9-hexahydropyrrolo[3,4-b]quinolin-8-one

(+)-9-[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]-2,4,5,6,7,9-hexahydropyrrolo[3,4-b]quinolin-8-one

Conditions
ConditionsYield
In ethanol for 0.5h; Reflux;12 mg

1H-Pyrrol-3-amine Specification

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

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