Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone supplier

Name
Ketone, methyl 1,4,5,6-tetrahydro-2-methylcyclopenta[b]pyrrol-3-yl (8CI)
EINECS
CAS No. 22056-53-7
Article Data2
CAS DataBase
Density 1.128g/cm³
Solubility
Melting Point
Formula C10H13 N O
Boiling Point 332.3°C at 760 mmHg
Molecular Weight 163.219
Flash Point 162.8°C
Transport Information
Appearance
Safety A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,methyl 1,4,5,6-tetrahydro-2-methylcyclopenta[b]pyrrol-3-yl (8CI)
PSA 32.86000
LogP 2.01440

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Chemical Properties

Molecule structure of Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone (CAS NO.22056-53-7) :

IUPAC Name: 1-(2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-3-yl)ethanone
Molecular Weight: 163.21632 g/mol
Molecular Formula: C₁₀H₁₃NO
Density: 1.128 g/cm³
Boiling Point: 332.3 °C at 760 mmHg
Flash Point: 162.8 °C
Index of Refraction: 1.573
Molar Refractivity: 47.71 cm³
Molar Volume: 144.6 cm³
Polarizability: 18.91×10^-24 cm³
Surface Tension: 45.6 dyne/cm
Enthalpy of Vaporization: 57.51 kJ/mol
Vapour Pressure: 0.000147 mmHg at 25 °C
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 163.099714
MonoIsotopic Mass: 163.099714
Topological Polar Surface Area: 32.9
Heavy Atom Count: 12
Complexity: 202
Canonical SMILES: CC1=C(C2=C(N1)CCC2)C(=O)C
InChI: InChI=1S/C10H13NO/c1-6-10(7(2)12)8-4-3-5-9(8)11-6/h11H,3-5H2,1-2H3
InChIKey: DSAVZMAQFKZAHF-UHFFFAOYSA-N
Product Categories of Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone (CAS NO.22056-53-7) : ACETYLGROUP

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Toxicity Data With Reference

ipr-mus LD50:200 mg/kg

JMCMAR Journal of Medicinal Chemistry. 11 (1968),1251.

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Safety Profile

A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NO_x.

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Specification

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone (CAS NO.22056-53-7) is also called 5-21-07-00456 (Beilstein Handbook Reference) ; BRN 1448129 ; Ketone, methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl .

Product Name

Ketone, methyl 1,4,5,6-tetrahydro-2-methylcyclopenta[b]pyrrol-3-yl (8CI)

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Chemical Properties

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Toxicity Data With Reference

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Safety Profile

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Standards and Recommendations

Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone Specification

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