CAS No.102331-61-3,1-(1-Methylpropyl)-1H-pyrrole-2,5-dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102331-61-3
Name:	1-(1-Methylpropyl)-1H-pyrrole-2,5-dione

Formula:	C₈H₁₁NO₂
Molecular Weight:	153.181
Synonyms:	N-sec-Butylmaleimide;1-sec-Butyl-1H-pyrrole-2,5-dione;
EINECS:	1533716-785-6
Density:	1.137 g/cm³
Boiling Point:	235.37 °C at 760 mmHg
Flash Point:	95.197 °C
PSA:	37.38000
LogP:	0.50530

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Specification

This chemical is called N-(1-Methylpropyl)maleimide, and its systematic name is 1-(1-methylpropyl)-1H-pyrrole-2,5-dione. With the molecular formula of C₈H₁₁NO₂, its molecular weight is 153.18. The CAS registry number of this chemical is 102331-61-3.

Other characteristics of the N-(1-Methylpropyl)maleimide can be summarised as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 9.08; (6)ACD/BCF (pH 7.4): 9.08; (7)ACD/KOC (pH 5.5): 168.8; (8)ACD/KOC (pH 7.4): 168.8; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 40.37 cm³; (15)Molar Volume: 134.6 cm³; (16)Polarizability: 16×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 95.2 °C; (20)Enthalpy of Vaporization: 47.21 kJ/mol; (21)Boiling Point: 235.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0502 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1\C=C/C(=O)N1C(C)CC
2.InChI: InChI=1/C8H11NO2/c1-3-6(2)9-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3
3.InChIKey: MWASMIDVYJKRKQ-UHFFFAOYAR