Name: (1H-PYRROL-2-YL)METHANAMINE
SKU: 64608-72-6

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Basic Information

Molecular Structure:
CAS No.:	64608-72-6
Name:	(1H-PYRROL-2-YL)METHANAMINE
Article Data:	5

Formula:	C₅H₈N₂
Molecular Weight:	96.1319
Synonyms:	1-(1H-Pyrrol-2-yl)methanamine;Pyrrole,2-(aminomethyl)- (6CI);2-(Aminomethyl)pyrrole;
Density:	1.096 g/cm³
Boiling Point:	217.503 °C at 760 mmHg
Flash Point:	107.706 °C
PSA:	41.81000
LogP:	1.17370

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Specification

This chemical is called 1H-Pyrrole-2-methanamine, and its systematic name is 1-(1H-pyrrol-2-yl)methanamine. With the molecular formula of C₅H₈N₂, its molecular weight is 96.13. The CAS registry number of this chemical is 64608-72-6.

Other characteristics of the 1H-Pyrrole-2-methanamine can be summarised as followings: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -2; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.81 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 29.138 cm³; (15)Molar Volume: 87.744 cm³; (16)Polarizability: 11.551×10^-24cm³; (17)Surface Tension: 49.489 dyne/cm; (18)Density: 1.096 g/cm³; (19)Flash Point: 107.706 °C; (20)Enthalpy of Vaporization: 45.388 kJ/mol; (21)Boiling Point: 217.503 °C at 760 mmHg; (22)Vapour Pressure: 0.132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: NCc1cccn1
2.InChI: InChI=1/C5H8N2/c6-4-5-2-1-3-7-5/h1-3,7H,4,6H2
3.InChIKey: YXMWGHKZTMANIJ-UHFFFAOYAZ