4-Amino-1-benzyl-2-pyrrolidinone supplier

Name
4-amino-1-benzylpyrrolidin-2-one(SALTDATA: HCl)
EINECS
CAS No. 368429-69-0
Article Data1
CAS DataBase
Density 1.173 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₂O
Boiling Point 379.545 °C at 760 mmHg
Molecular Weight 190.245
Flash Point 183.343 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrrolidinone, 4-amino-1-(phenylmethyl)-;
PSA 46.33000
LogP 1.38440

4-Amino-1-benzyl-2-pyrrolidinone Specification

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

Product Name

4-amino-1-benzylpyrrolidin-2-one(SALTDATA: HCl)

4-Amino-1-benzyl-2-pyrrolidinone Specification

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