1-(cyclopent-1-en-1-yl)pyrrolidine

• ChemBase ID: 65922
• Molecular Formular: C9H15N
• Molecular Mass: 137.2221
• Monoisotopic Mass: 137.12044949
• SMILES: C1CC=C(C1)N1CCCC1
• Canonical SMILES: C1CC=C(C1)N1CCCC1
• InChI: InChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2
• InChIKey: KOFSFYBXUYHNJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopent-1-en-1-yl)pyrrolidine
• IUPAC Traditional name: 1-(cyclopent-1-en-1-yl)pyrrolidine
• Synonyms: 1-Cyclopentenylpyrrolidine; 1-(1-Cyclopenten-1-yl)pyrrolidine; 1-Pyrrolidino-1-cyclopentene; 1-(Cyclopent-1-en-1-yl)pyrrolidine; 1-(1-Pyrrolidino)cyclopentene; 1-(1-Pyrrolidinyl)cyclopentene; 1-(1-Cyclopenten-1-yl)pyrrolidine; 1-环戊烯基吡烙烷; 1-(1-吡咯烷)环戊烯

Database IDs

• CAS Number: 7148-07-4
• EC Number: 230-463-6
• MDL Number: MFCD00003162
• Beilstein Number: 109824
• PubChem SID: 24848953; 162031661
• PubChem CID: 81570

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.8589487
• LogD (pH = 7.4): -1.1415843
• Log P: 1.6184121
• Molar Refractivity: 45.4357 cm^3
• Polarizability: 16.758333 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100-110 °C/15 mmHg(lit.); 103-107°C/15mm; 103-107°C/15mm
• Flash Point: 116.6 °F; 47 °C; 83°C(114°F)
• Density: 0.941; 0.941 g/mL at 25 °C(lit.)
• Refractive Index: 1.5155; n20/D 1.5155(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38; 36/38
• Safety Statements: 16-26-36/37/39; 23-26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H315-H319-H227
• GHS Precautionary statements: P260-P280G-P305+P351+P338; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C9H15N

DETAILS

Sigma Aldrich - 149446

Packaging
10, 50 g in glass bottle