CAS No.81403-67-0,Tetrahydrofuran-2-CarboxylicAcid(3-Methylamino-Propyl)-Amide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	81403-67-0
Name:	Tetrahydrofuran-2-CarboxylicAcid(3-Methylamino-Propyl)-Amide
Article Data:	8

Formula:	C₉H₁₈N₂O₂
Molecular Weight:	186.254
Synonyms:	N-[3-(methylamino)propyl]tetrahydrofuran-2-carboxamide;
EINECS:	617-229-2
Density:	1.045 g/cm³
Boiling Point:	380.81 °C at 760 mmHg
Flash Point:	184.108 °C
PSA:	50.36000
LogP:	0.67290

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Specification

The Tetrahydrofuran-2-carboxylic acid (3-methylaminopropyl)amide, with the CAS registry number 81403-67-0, has the systematic name of N-[3-(methylamino)propyl]tetrahydrofuran-2-carboxamide. It belongs to the product category of Drug Intermediates. And the molecular formula of this chemical is C₉H₁₈N₂O₂.

The physical properties of Tetrahydrofuran-2-carboxylic acid (3-methylaminopropyl)amide are as following: (1)ACD/LogP: -0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 50.36 Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 50.346 cm³; (15)Molar Volume: 178.162 cm³; (16)Polarizability: 19.959×10^-24cm³; (17)Surface Tension: 37.505 dyne/cm; (18)Density: 1.045 g/cm³; (19)Flash Point: 184.108 °C; (20)Enthalpy of Vaporization: 62.901 kJ/mol; (21)Boiling Point: 380.81 °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=C(NCCCNC)C1OCCC1
(2)InChI: InChI=1/C9H18N2O2/c1-10-5-3-6-11-9(12)8-4-2-7-13-8/h8,10H,2-7H2,1H3,(H,11,12)
(3)InChIKey: AUXJTEANWWFSRR-UHFFFAOYAS