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3-Pyridinecarboxaldehyde,2-(1-pyrrolidinyl)- (690632-39-4)

Identification
Name:3-Pyridinecarboxaldehyde,2-(1-pyrrolidinyl)-
Synonyms:2-(1-Pyrrolidinyl)-3-pyridinecarboxaldehyde;2-(1-Pyrrolidinyl)nicotinealdehyde;
CAS:690632-39-4
Molecular Formula: C10H12N2O
Molecular Weight: 176.22
InChI: InChI=1/C10H12N2O/c13-8-9-4-3-5-11-10(9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
Molecular Structure: (C10H12N2O) 2-(1-Pyrrolidinyl)-3-pyridinecarboxaldehyde;2-(1-Pyrrolidinyl)nicotinealdehyde;
Properties
Flash Point: 155.8 ºC
Boiling Point: 334 ºC at 760 mmHg
Density:1.183 g/cm3
Refractive index:1.605
Specification:

The 2-(1-Pyrrolidinyl)-3-pyridinecarboxaldehyde with the cas number 690632-39-4 is also called 3-Pyridinecarboxaldehyde,2-(1-pyrrolidinyl)-. Its molecular formula is C10H12N2O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 1.87; (6)ACD/BCF (pH 7.4): 2.93; (7)ACD/KOC (pH 5.5): 47.92; (8)ACD/KOC (pH 7.4): 74.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 51.3 cm3; (15)Molar Volume: 148.8 cm3; (16)Polarizability: 20.33×10-24cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Enthalpy of Vaporization: 57.69 kJ/mol; (19)Vapour Pressure: 0.000132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(nccc1)N2CCCC2
(2)InChI: InChI=1/C10H12N2O/c13-8-9-4-3-5-11-10(9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
(3)InChIKey: FTACFSVJFQMXQE-UHFFFAOYAG 

Flash Point: 155.8 ºC
Safety Data