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498573-81-2

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Basic Information
CAS No.: 498573-81-2
Name: (S)-(-)-TETRAHYDROFURAN-2-CARBOXYLIC ACID AMIDE
Molecular Structure:
Molecular Structure of 498573-81-2 ((S)-(-)-TETRAHYDROFURAN-2-CARBOXYLIC ACID AMIDE)
Formula: C5H9NO2
Molecular Weight: 115.132
Synonyms: (S)-Tetrahydro-2-furoicacid amide;
Density: 1.172 g/cm3
Melting Point: 82-86 °C (lit.)
Boiling Point: 305.7 °C at 760 mmHg
Flash Point: 198.8 °C
Safety: 22-24/25
PSA: 52.32000
LogP: 0.35100
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Specification

The 2-Furancarboxamide,tetrahydro-, (2S)-, with the CAS registry number 498573-81-2, is also known as (S)-(-)-Tetrahydrofuran-2-carboxylic acid amide. It belongs to the product categories of Amides; Chiral Compounds; Chiral Building Blocks; Furans; Heterocyclic Building Blocks. This chemical's molecular formula is C5H9NO2 and molecular weight is 115.13. What's more, its IUPAC name is (2S)-Tetrahydrofuran-2-carboxamide. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about 2-Furancarboxamide,tetrahydro-, (2S)- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.39; (5)ACD/KOC (pH 7.4): 3.39; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.485; (11)Molar Refractivity: 28.15 cm3; (12)Molar Volume: 98.1 cm3; (13)Polarizability: 11.16×10-24 cm3; (14)Surface Tension: 44.6 dyne/cm; (15)Density: 1.172 g/cm3; (16)Flash Point: 198.8 °C; (17)Enthalpy of Vaporization: 54.61 kJ/mol; (18)Boiling Point: 305.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00081 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)[C@H]1OCCC1
(2) InChI: InChI=1/C5H9NO2/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H2,6,7)/t4-/m0/s1
(3) InChIKey: GXHAENUAJYZNOA-BYPYZUCNBQ