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3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, hydrazide

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Name

3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, hydrazide

EINECS N/A
CAS No. 474317-63-0 Density 1.183 g/cm3
PSA 58.36000 LogP 1.52750
Solubility N/A Melting Point 83 °C
Formula C12H17N3O Boiling Point 402.5 °C at 760 mmHg
Molecular Weight 219.2829 Flash Point 197.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 474317-63-0 (1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID HYDRAZIDE) Hazard Symbols IrritantXi
Synonyms

1-Benzylpyrrolidine-3-carboxylic acid hydrazide;

 

3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, hydrazide Specification

The 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, hydrazide, with the CAS registry number 474317-63-0, is also known as 1-Benzylpyrrolidine-3-carboxylic acid hydrazide. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H17N3O and molecular weight is 219.2829. What's more, both its IUPAC name and systematic name are the same which is called 1-Benzylpyrrolidine-3-carbohydrazide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, hydrazide are: (1)ACD/LogP: 0.05; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.41; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.79 Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 62.88 cm3; (13)Molar Volume: 185.3 cm3; (14)Polarizability: 24.92×10-24 cm3; (15)Surface Tension: 53.8 dyne/cm; (16)Density: 1.183 g/cm3; (17)Flash Point: 197.2 °C; (18)Enthalpy of Vaporization: 65.36 kJ/mol; (19)Boiling Point: 402.5 °C at 760 mmHg; (20)Vapour Pressure: 1.09E-06 mmHg at 25 °C; (21)Melting Point: 83 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NN)C2CN(Cc1ccccc1)CC2
(2) InChI: InChI=1/C12H17N3O/c13-14-12(16)11-6-7-15(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,16)
(3) InChIKey: UWQSMZMXPUMBSX-UHFFFAOYAO

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