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Name |
2-Pyrrolidin-1-ylbenzaldehyde |
EINECS | N/A |
CAS No. | 58028-74-3 | Density | 1.125 g/cm3 |
PSA | 20.31000 | LogP | 2.16430 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13NO | Boiling Point | 307.4 °C at 760 mmHg |
Molecular Weight | 175.23 | Flash Point | 120.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(1-Pyrrolidinyl)benzaldehyde; |
Article Data | 30 |
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