2-Amino-3-cyano-4,5-dimethylpyrrole

The 2-Amino-3-cyano-4,5-dimethylpyrrole, with the CAS registry number 21392-51-8, is also known as 2-Amino-4,5-dimethyl-1H-pyrrol. It belongs to the product categories of Amines; Pyrroles & Indoles; API intermediates; Heterocycle intermediates; Benzenes; Pyrroles & Indoles; Non-Chiral heterocyclic compounds. Its IUPAC name is called 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile.

Physical properties of 2-Amino-3-cyano-4,5-dimethylpyrrole: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.07; (6)ACD/BCF (pH 7.4): 15.12; (7)ACD/KOC (pH 5.5): 242.35; (8)ACD/KOC (pH 7.4): 243.22; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 38.1 cm³; (14)Molar Volume: 115.1 cm³; (15)Surface Tension: 58.7 dyne/cm; (16)Density: 1.17 g/cm³; (17)Flash Point: 175.3 °C; (18)Enthalpy of Vaporization: 61.26 kJ/mol; (19)Boiling Point: 366.2 °C at 760 mmHg; (20)Vapour Pressure: 1.49E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(NC(=C1C#N)N)C
(2)InChI: InChI=1S/C7H9N3/c1-4-5(2)10-7(9)6(4)3-8/h10H,9H2,1-2H3
(3)InChIKey: QZVLATXNNPVXEJ-UHFFFAOYSA-N