CAS No.79286-87-6,3-(N-Acetyl-N-methylamino)pyrrolidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79286-87-6
Name:	3-(N-Acetyl-N-methylamino)pyrrolidine
Article Data:	2

Formula:	C₇H₁₄N₂O
Molecular Weight:	142.201
Synonyms:	3-(N-Acetyl-N-methylamino)pyrrolidine;3-(N-Methylacetamido)pyrrolidine;N-Methyl-N-3-pyrrolidinylacetamide;3-(Acetylmethylamino)pyrrolidine;N-Methyl-N-(pyrrolidin-3-yl)acetamide;AC1Q3X88;MolPort-001-794-457;A80222;
Density:	1.031 g/cm³
Boiling Point:	250.235 °C at 760 mmHg
Flash Point:	105.139 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	32.34000
LogP:	0.15540

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Specification

The 3-(N-Acetyl-N-methylamino)pyrrolidine with CAS registry number of 79286-87-6 is also known as N-Methyl-N-3-pyrrolidinylacetamide. The IUPAC name is N-Methyl-N-pyrrolidin-3-ylacetamide. It belongs to product categories of 3-Aminopyrrolidines; 3-Aminopyrrolidines. In addition, the formula is C₇H₁₄N₂O and the molecular weight is 142.2.

Physical properties about this chemical are: (1)ACD/LogP: -0.42; (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): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 32.34Å²; (11)Index of Refraction: 1.492; (12)Molar Refractivity: 40.034 cm³; (13)Molar Volume: 137.915 cm³; (14)Polarizability: 15.871×10^-24cm³; (15)Surface Tension: 36.277 dyne/cm; (16)Density: 1.031 g/cm³; (17)Flash Point: 105.139 °C; (18)Enthalpy of Vaporization: 48.75 kJ/mol; (19)Boiling Point: 250.235 °C at 760 mmHg; (20)Vapour Pressure: 0.022 mmHg at 25 °C.

Uses of 3-(N-Acetyl-N-methylamino)pyrrolidine: it is used to produce 7-[3-(N-methylacetamido)-1-pyrrolidinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid by reaction with 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid. The reaction occurs with reagent Et₃N at about 100 °C. The yield is 98%.

3-(N-Acetyl-N-methylamino)pyrrolidine is used to produce 7-[3-(N-methylacetamido)-1-pyrrolidinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(C)N(C)C1CCNC1
2. InChI: InChI=1/C7H14N2O/c1-6(10)9(2)7-3-4-8-5-7/h7-8H,3-5H2,1-2H3
3. InChIKey: KOEKUQRWTOSZOR-UHFFFAOYAP
4. Std. InChI: InChI=1S/C7H14N2O/c1-6(10)9(2)7-3-4-8-5-7/h7-8H,3-5H2,1-2H3
5. Std. InChIKey: KOEKUQRWTOSZOR-UHFFFAOYSA-N