1-Methylpyrrolidin-3-one supplier

Name
1-Methylpyrrolidin-3-one
EINECS 633-265-1
CAS No. 68165-06-0
Article Data8
CAS DataBase
Density 1.029 g/cm³
Solubility
Melting Point 320oC
Formula C₅H₉NO
Boiling Point 148.8 °C at 760 mmHg
Molecular Weight 99.1326
Flash Point 39.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 10-37/38-41-43
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Methyl-3-pyrrolidinone;N-Methyl-3-pyrrolidinone;
PSA 20.31000
LogP -0.17110

1-Methylpyrrolidin-3-one Specification

The 3-Pyrrolidinone,1-methyl- is an organic compound with the formula C₅H₉NO. The IUPAC name of this chemical is 1-methylpyrrolidin-3-one. With the CAS registry number 68165-06-0, it is also named as 3-Pyrrolidone, 1-methyl-. The product's category is Pyrrole & Pyrrolidine & Pyrroline. In addition, the molecular weight is 99.13.

The other characteristics of 3-Pyrrolidinone,1-methyl- can be summarized as: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.76; (4)ACD/LogD (pH 7.4): -0.76; (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): 8.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 26.85 cm³; (15)Molar Volume: 96.2 cm³; (16)Polarizability: 10.64×10^-24 cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.029 g/cm³; (19)Flash Point: 39.9 °C; (20)Enthalpy of Vaporization: 38.58 kJ/mol; (21)Boiling Point: 148.8 °C at 760 mmHg; (22)Vapour Pressure: 4.14 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C1CN(C)CC1
2. InChI:InChI=1/C5H9NO/c1-6-3-2-5(7)4-6/h2-4H2,1H3
3. InChIKey:SLPUTJFVMJPMKV-UHFFFAOYAM
4. Std. InChI:InChI=1S/C5H9NO/c1-6-3-2-5(7)4-6/h2-4H2,1H3
5. Std. InChIKey:SLPUTJFVMJPMKV-UHFFFAOYSA-N

Product Name

1-Methylpyrrolidin-3-one

1-Methylpyrrolidin-3-one Specification

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