2-Furylmethyl-(1-phenylpropan-2-yl)azanium acetate supplier

Name
N-(furan-2-ylmethyl)-1-phenylpropan-2-aminium acetate
EINECS
CAS No. 2980-12-3
Density
Solubility
Melting Point
Formula C₁₆H₂₁NO₃
Boiling Point 313.7 °C at 760 mmHg
Molecular Weight 275.3428
Flash Point 143.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms FURFURYLAMINE, N-(alpha-METHYLPHENETHYL)-, ACETATE (+-)-;N-(alpha-Methylphenethyl)furfurylamine acetate;
PSA
LogP

2-Furylmethyl-(1-phenylpropan-2-yl)azanium acetate 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.

Product Name

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

2-Furylmethyl-(1-phenylpropan-2-yl)azanium acetate Specification

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