(2R)-oxolan-2-ylmethanamine

• ChemBase ID: 148622
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C1C[C@@H](OC1)CN
• Canonical SMILES: NC[C@H]1CCCO1
• InChI: InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2/t5-/m1/s1
• InChIKey: YNOGYQAEJGADFJ-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-oxolan-2-ylmethanamine; [(2R)-oxolan-2-yl]methanamine
• IUPAC Traditional name: (2R)-oxolan-2-ylmethanamine
• Synonyms: (R)-2-(Aminomethyl)tetrahydrofuran; (R)-(-)-Tetrahydrofurfurylamine; (R)-(-)-Tetrahydrofurfurylamine; (R)-(-)-2-(Aminomethyl)tetrahydrofuran; 1-[(2R)-tetrahydrofuran-2-yl]methanamine; (R)-2-氨甲基四氢呋喃; (R)-(-)-四氢糠胺

Database IDs

• CAS Number: 7202-43-9
• MDL Number: MFCD00192476
• Beilstein Number: 4652873; 4652872
• PubChem SID: 24865833; 162242797
• PubChem CID: 2734124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.193815
• LogD (pH = 7.4): -2.2470796
• Log P: -0.20686984
• Molar Refractivity: 28.1735 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 152-153°C; 55 °C/18 mmHg(lit.)
• Flash Point: 114.8 °F; 45°C(113°F); 46 °C
• Density: 0.98 g/mL at 25 °C(lit.); 0.980
• Refractive Index: 1.4550; n20/D 1.455(lit.)
• Optical Rotation: [α]20/D -12°, c = 2 in chloroform; -12 (c=2 in chloroform)

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 2943; UN2943
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-34; 10-36/37/38
• Safety Statements: 16-26-36/37/39; 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2943 3/PG 3

Product Information

• Purity: 97%; 98%; 98+%; 99%
• Empirical Formula (Hill Notation): C5H11NO

DETAILS

Sigma Aldrich - 412937

Packaging
1 g in glass bottle
250 mg in glass bottle