3-(ethenyloxy)propan-1-amine

• ChemBase ID: 138695
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C=COCCCN
• Canonical SMILES: NCCCOC=C
• InChI: InChI=1S/C5H11NO/c1-2-7-5-3-4-6/h2H,1,3-6H2
• InChIKey: JPVNTYZOJCDQBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethenyloxy)propan-1-amine
• IUPAC Traditional name: 3-(ethenyloxy)propan-1-amine
• Synonyms: 3-Amino-1-propanol vinyl ether; 3-氨基-1-丙醇乙烯基醚

Database IDs

• CAS Number: 66415-55-2
• MDL Number: MFCD00191751
• PubChem SID: 162232946
• PubChem CID: 4386396

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1302466
• LogD (pH = 7.4): -2.667827
• Log P: -0.10780024
• Molar Refractivity: 29.5199 cm^3
• Polarizability: 11.917778 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76 °C(lit.)
• Flash Point: 102.2 °F; 39 °C
• Density: 0.89 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.445(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 16-23-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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 2920 8/PG 2

Product Information

• Purity: 96%
• Linear Formula: H2C=CHO(CH2)3NH2