CAS No.58028-74-3,2-PYRROLIDIN-1-YLBENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58028-74-3
Name:	2-PYRROLIDIN-1-YLBENZALDEHYDE
Article Data:	30

Formula:	C₁₁H₁₃NO
Molecular Weight:	175.23
Synonyms:	2-(1-Pyrrolidinyl)benzaldehyde;
Density:	1.125 g/cm³
Boiling Point:	307.4 °C at 760 mmHg
Flash Point:	120.7 °C
Hazard Symbols:	Xi
PSA:	20.31000
LogP:	2.16430

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Specification

The CAS register number of 2-Pyrrolidin-1-ylbenzaldehyde is 58028-74-3. It also can be called as Benzaldehyde, 2-(1-pyrrolidinyl)- and the IUPAC name about this chemical is 2-pyrrolidin-1-ylbenzaldehyde. The molecular formula about this chemical is C₁₁H₁₃NO and the molecular weight is 175.23. It belongs to the following product categories which include Carbonyl Compounds; Heterocycles and so on.

Physical properties about 2-Pyrrolidin-1-ylbenzaldehyde are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.83; (4)ACD/BCF (pH 5.5): 5.89; (5)ACD/BCF (pH 7.4): 14.4; (6)ACD/KOC (pH 5.5): 95.48; (7)ACD/KOC (pH 7.4): 233.57; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 20.31Å²; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 53.21 cm³; (13)Molar Volume: 155.6 cm³; (14)Polarizability: 21.09x10^-24cm³; (15)Surface Tension: 47.1 dyne/cm; (16)Enthalpy of Vaporization: 54.8 kJ/mol; (17)Boiling Point: 307.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000728 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1N2CCCC2
(2)InChI: InChI=1/C11H13NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
(3)InChIKey: QJHUKBIDTDKVSL-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H13NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
(5)Std. InChIKey: QJHUKBIDTDKVSL-UHFFFAOYSA-N