(13C)cyclopentane

• ChemBase ID: 137179
• Molecular Formular: C5H10
• Molecular Mass: 71.12555484
• Monoisotopic Mass: 71.08160516
• SMILES: C1CC[13CH2]C1
• Canonical SMILES: [13CH2]1CCCC1
• InChI: InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2/i1+1
• InChIKey: RGSFGYAAUTVSQA-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)cyclopentane
• IUPAC Traditional name: (^1^3C)cyclopentane
• Synonyms: Cyclopentane-13C; 环戊烷-13C1

Database IDs

• CAS Number: 286425-38-5
• MDL Number: MFCD00083930
• PubChem SID: 162231444; 24872717
• PubChem CID: 16213542

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 2.2228434
• LogD (pH = 7.4): 2.2228434
• Log P: 2.2228434
• Molar Refractivity: 23.005 cm^3
• Polarizability: 9.23521 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0

PROPERTIES

Physical Property

• Melting Point: -94 °C(lit.)
• Boiling Point: 50 °C(lit.)
• Flash Point: -20 °C; -4 °F
• Density: 0.762 g/mL at 25 °C
• Refractive Index: n20/D 1.4(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1146
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H412
• GHS Precautionary statements: P210-P273
• RID/ADR: UN 1146 3/PG 2

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 71.12 by atom % calculation
• Empirical Formula (Hill Notation): 13CC4H10

DETAILS

Sigma Aldrich - 492094

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.