cyclobutanamine

• ChemBase ID: 90381
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: NC1CCC1
• Canonical SMILES: NC1CCC1
• InChI: InChI=1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2
• InChIKey: KZZKOVLJUKWSKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutanamine
• IUPAC Traditional name: cyclobutylamine
• Synonyms: Cyclobutylamine; Aminocyclobutane; Cyclobutylamine; 氨基环丁烷; 环丁胺

Database IDs

• CAS Number: 2516-34-9
• EC Number: 219-736-0
• MDL Number: MFCD00001328
• Beilstein Number: 2069297
• PubChem SID: 162077194; 24853483
• PubChem CID: 75645

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.740153
• LogD (pH = 7.4): -2.345557
• Log P: 0.28467435
• Molar Refractivity: 21.731 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 81.5 °C/752 mmHg(lit.); 81-83°C; 82-83°C
• Flash Point: 24.8 °F; -4 °C; -4.0°C; -4°C(24°F)
• Density: 0.833; 0.833 g/mL at 25 °C(lit.); 0.836
• Refractive Index: 1.4376; n20/D 1.437; n20/D 1.437(lit.)

Safety Information

• Storage Condition: Store at 2-8°C
• Storage Warning: Highly Flammable/Corrosive/Irritant/Air Sensitive/Hygroscopic/Store under Argon/Keep Cold; Hygroscopic
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45; 7-20-26-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: C4H7NH2

DETAILS

MP Biomedicals - 05226230

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 225185

Application
Substrate used in a microwave-assisted synthesis of 7-azaindoles from dihalopyridines.1
Packaging
1, 5, 25 g in glass bottle