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5-Pyrimidinecarboxaldehyde,2-(1-pyrrolidinyl)- (937796-10-6)

Identification
Name:5-Pyrimidinecarboxaldehyde,2-(1-pyrrolidinyl)-
Synonyms:2-(1-pyrrolidinyl)-5-Pyrimidinecarboxaldehyde;2-Pyrrolidin-1-ylpyrimidine-5-carboxaldehyde;
CAS:937796-10-6
Molecular Formula: C9H11N3O
Molecular Weight: 177.20
InChI: InChI=1/C9H11N3O/c13-7-8-5-10-9(11-6-8)12-3-1-2-4-12/h5-7H,1-4H2
Molecular Structure: (C9H11N3O) 2-(1-pyrrolidinyl)-5-Pyrimidinecarboxaldehyde;2-Pyrrolidin-1-ylpyrimidine-5-carboxaldehyde;
Properties
Density:1.247 g/cm3
Refractive index:1.612
Specification:

The 2-(Pyrrolidin-1-yl)pyrimidine-5-carboxaldehyde with the CAS number 937796-10-6 is also called 5-Pyrimidinecarboxaldehyde,2-(1-pyrrolidinyl)-. Both the systematic name and IUPAC name are 2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde. Its molecular formula is C9H11N3O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-(Pyrrolidin-1-yl)pyrimidine-5-carboxaldehyde are: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.85; (5)ACD/KOC (pH 7.4): 14.858; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.09 Å2; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 49.393 cm3; (12)Molar Volume: 142.076 cm3; (13)Polarizability: 19.581×10-24cm3; (14)Surface Tension: 62.199 dyne/cm; (15)Enthalpy of Vaporization: 60.93 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(n1)N2CCCC2)C=O
(2)InChI: InChI=1/C9H11N3O/c13-7-8-5-10-9(11-6-8)12-3-1-2-4-12/h5-7H,1-4H2
(3)InChIKey: KJMKROLYLRRJDN-UHFFFAOYAY

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