(2S)-octan-2-amine

• ChemBase ID: 143288
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CCCCCC[C@H](C)N
• Canonical SMILES: CCCCCC[C@@H](N)C
• InChI: InChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3/t8-/m0/s1
• InChIKey: HBXNJMZWGSCKPW-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-octan-2-amine
• IUPAC Traditional name: (2S)-octan-2-amine
• Synonyms: (S)-(+)-1-Methylheptylamine; (2S)-Octylamine; (S)-(+)-2-Aminooctane; (S)-2-Octylamine; (S)-2-Aminooctane; (S)-(+)-2-氨基辛烷; (S)-2-辛胺; (S)-2-氨基辛烷

Database IDs

• CAS Number: 34566-04-6
• EC Number: 000-000-0
• MDL Number: MFCD01091021
• Beilstein Number: 1719319
• PubChem SID: 162237509; 24845659
• PubChem CID: 6999019

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

• Melting Point: <-20°C
• Boiling Point: 163-165°C
• Flash Point: 123.8 °F; 50°C(122°F); 51 °C
• Density: 0.770
• Refractive Index: 1.4235

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Toxic (T)
• UN Number: 2735; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-22-34-50; 10-25-34; 22-34
• Safety Statements: 20-23-26-36/37/39-45; 26-36/37/39-45; 26-36/37/39-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314-H400; H300-H314-H318-H226; H302-H314
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P273-P280-P305 + P351 + P338-P310; 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 2735 8/PG 2

Product Information

• Purity: ≥97.0%; ≥99.0%; ≥99.0% (GC); ChiPros? 99+%, ee 99+%
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥99.0%; enantiomeric ratio: >99.0:1.0 (GC)
• Empirical Formula (Hill Notation): C8H19N

DETAILS

Sigma Aldrich - 726885

Packaging
5, 25 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE