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2980-12-3

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Basic Information
CAS No.: 2980-12-3
Name: N-(furan-2-ylmethyl)-1-phenylpropan-2-aminium acetate
Molecular Structure:
Molecular Structure of 2980-12-3 (N-(furan-2-ylmethyl)-1-phenylpropan-2-aminium acetate)
Formula: C16H21NO3
Molecular Weight: 275.3428
Synonyms: FURFURYLAMINE, N-(alpha-METHYLPHENETHYL)-, ACETATE (+-)-;N-(alpha-Methylphenethyl)furfurylamine acetate;
Boiling Point: 313.7 °C at 760 mmHg
Flash Point: 143.5 °C
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  • 2-furylmethyl-(1-phenylpropan-2-yl)azanium acetate

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    2980-12-3

    2-furylmethyl-(1-phenylpropan-2-yl)azanium acetate

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • 2-furylmethyl-(1-phenylpropan-2-yl)azanium acetate

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    2980-12-3

    2-furylmethyl-(1-phenylpropan-2-yl)azanium acetate

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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  • N-(furan-2-ylmethyl)-1-phenylpropan-2-aminium acetate

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    2980-12-3

    N-(furan-2-ylmethyl)-1-phenylpropan-2-aminium acetate

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

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Specification

The 2-Furylmethyl-(1-phenylpropan-2-yl)azanium acetate, with the CAS registry number 2980-12-3, is also known as N-(alpha-Methylphenethyl)furfurylamine acetate. This chemical's molecular formula is C16H21NO3 and molecular weight is 275.34284. Its IUPAC name is called furan-2-ylmethyl(1-phenylpropan-2-yl)azanium acetate. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 2-Furylmethyl-(1-phenylpropan-2-yl)azanium acetate: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 0.28; (3)ACD/LogD (pH 7.4): 1.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 7.74; (6)ACD/KOC (pH 5.5): 1.79; (7)ACD/KOC (pH 7.4): 67.55; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 143.5 °C; (12)Enthalpy of Vaporization: 55.48 kJ/mol; (13)Boiling Point: 313.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000487 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC1=CC=CC=C1)[NH2+]CC2=CC=CO2.CC(=O)[O-]
(2)InChI: InChI=1S/C14H17NO.C2H4O2/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14;1-2(3)4/h2-9,12,15H,10-11H2,1H3;1H3,(H,3,4)
(3)InChIKey: XFDVFNHXKBNLJT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Annales Pharmaceutiques Francaises. Vol. 24, Pg. 57, 1966.