octan-2-amine

• ChemBase ID: 107405
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CCCCCCC(C)N
• Canonical SMILES: CCCCCCC(N)C
• InChI: InChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3
• InChIKey: HBXNJMZWGSCKPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octan-2-amine
• IUPAC Traditional name: 2-octanamine
• Synonyms: 1-Methylheptylamine; 2-AMINO-n-OCTANE; DL-2-AMINOOCTANE; 2-Aminooctane; 2-辛胺; 2-氨基辛烷

Database IDs

• CAS Number: 693-16-3
• EC Number: 211-744-2
• MDL Number: MFCD00008103
• PubChem SID: 162094559; 24851086
• PubChem CID: 12735

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5789396
• LogD (pH = 7.4): -0.2826383
• Log P: 2.4487212
• Molar Refractivity: 42.0142 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 165 °C(lit.)
• Flash Point: 123.8 °F; 51 °C
• Density: 0.771 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4235(lit.)

Safety Information

• RTECS: MK1210000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H314
• GHS Precautionary statements: P280-P301 + P310-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 2734 8/PG 2

Product Information

• Purity: 99%
• Linear Formula: CH3(CH2)5CH(NH2)CH3

DETAILS

MP Biomedicals - 05206591

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05203573

MP Biomedicals Rare Chemical collection