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Name |
4-Amino-1-benzyl-2-pyrrolidinone |
EINECS | N/A |
CAS No. | 368429-69-0 | Density | 1.173 g/cm3 |
PSA | 46.33000 | LogP | 1.38440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H14N2O | Boiling Point | 379.545 °C at 760 mmHg |
Molecular Weight | 190.245 | Flash Point | 183.343 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-; |
Article Data | 1 |
The 4-Amino-1-benzyl-2-pyrrolidinone, with the CAS registry number 368429-69-0, is also known as 2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-. This chemical's molecular formula is C11H14N2O and molecular weight is 190.11. What's more, its IUPAC name is called 4-Amino-1-benzylpyrrolidin-2-one.
Physical properties about 4-Amino-1-benzyl-2-pyrrolidinone are: (1)ACD/LogP: 0.262; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.55; (8)ACD/KOC (pH 7.4): 31.47; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.33 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 54.863 cm3; (15)Molar Volume: 162.149 cm3; (16)Polarizability: 21.75×10-24 cm3; (17)Surface Tension: 51.16 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 183.343 °C; (20)Enthalpy of Vaporization: 62.758 kJ/mol; (21)Boiling Point: 379.545 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(Cc1ccccc1)CC(N)C2
(2) InChI: InChI=1S/C11H14N2O/c12-10-6-11(14)13(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
(3) InChIKey: ZBULGGJXBMLOKD-UHFFFAOYSA-N