Name: 1H-Pyrrol-3-amine(9CI)
SKU: 29212-49-5

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Basic Information

Molecular Structure:
CAS No.:	29212-49-5
Name:	1H-Pyrrol-3-amine(9CI)
Article Data:	1

Formula:	C₄H₆N₂
Molecular Weight:	82.105
Synonyms:	1H-Pyrrol-3-amine(9CI);3-AMinopyrrole;1H-Pyrrol-3-aMine
Density:	1.172 g/cm³
Boiling Point:	258.982 °C at 760 mmHg
Flash Point:	134.248 °C
PSA:	41.81000
LogP:	1.17810

Synthetic route

: 29212-49-5
3-amino pyrrole

: 504-02-9
1,3-cylohexanedione

: 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

Conditions

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

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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^-24cm³; (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