Methyl2,5-dimethyl-1H-pyrrole-3-carboxylate supplier

Name
METHYL 2,5-DIMETHYLPYRROLE-3-CARBOXYLATE
EINECS
CAS No. 69687-80-5
Article Data7
CAS DataBase
Density 1.108 g/cm³
Solubility
Melting Point 115 °C
Formula C₈H₁₁NO₂
Boiling Point 294.3 °C at 760 mmHg
Molecular Weight 153.181
Flash Point 131.8 °C
Transport Information
Appearance
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Methyl2,5-dimethyl-1H-pyrrole-3-carboxylate;Methyl 2,5-dimethylpyrrole-3-carboxylate;
PSA 42.09000
LogP 1.41810

Methyl2,5-dimethyl-1H-pyrrole-3-carboxylate Specification

This chemical is called Methyl2,5-dimethyl-1H-pyrrole-3-carboxylate, and its systematic name is methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate. With the molecular formula of C₈H₁₁NO₂, its molecular weight is 153.18. The CAS registry number of this chemical is 69687-80-5. Additionally, its product categories are Carboxylicester; Pyrrolidine Series.

Other characteristics of the Methyl2,5-dimethyl-1H-pyrrole-3-carboxylate can be summarised as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.96; (6)ACD/BCF (pH 7.4): 21.96; (7)ACD/KOC (pH 5.5): 317.61; (8)ACD/KOC (pH 7.4): 317.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 42.1 cm³; (15)Molar Volume: 138.1 cm³; (16)Polarizability: 16.69×10^-24cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.108 g/cm³; (19)Flash Point: 131.8 °C; (20)Enthalpy of Vaporization: 53.39 kJ/mol; (21)Boiling Point: 294.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1c(nc(c1)C)C
2.InChI: InChI=1/C8H11NO2/c1-5-4-7(6(2)9-5)8(10)11-3/h4,9H,1-3H3
3.InChIKey: OQWZEJIISPYZPW-UHFFFAOYAQ

Product Name

METHYL 2,5-DIMETHYLPYRROLE-3-CARBOXYLATE

Methyl2,5-dimethyl-1H-pyrrole-3-carboxylate Specification

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