(2S)-nonan-2-amine

• ChemBase ID: 143044
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: CCCCCCC[C@H](C)N
• Canonical SMILES: CCCCCCC[C@@H](N)C
• InChI: InChI=1S/C9H21N/c1-3-4-5-6-7-8-9(2)10/h9H,3-8,10H2,1-2H3/t9-/m0/s1
• InChIKey: ALXIFCUEJWCQQL-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-nonan-2-amine
• IUPAC Traditional name: (2S)-nonan-2-amine
• Synonyms: (S)-1-Methyloctylamine; (2S)-Nonylamine; (S)-(+)-2-Aminononane; (S)-2-Nonylamine; (S)-2-Aminononane; (S)-(+)-2-氨基壬烷; (S)-2-壬胺; (S)-2-氨基壬烷

Database IDs

• CAS Number: 13205-58-8; 869278-88-6
• MDL Number: MFCD03844738
• PubChem SID: 162237267
• PubChem CID: 22831497

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.13437094
• LogD (pH = 7.4): 0.16193035
• Log P: 2.8932898
• Molar Refractivity: 46.6152 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73°C/19mm
• Flash Point: 165.2 °F; 71°C(159°F); 74 °C
• Density: 0.782
• Refractive Index: 1.4271
• Optical Rotation: +6 (neat)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 20/21/22-34-50/53; 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332-H400; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P273-P280-P305 + P351 + P338-P310

Product Information

• Purity: ≥98.5% (GC); 99%; ChiPros 99+%, ee 99+%
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥98.5%
• Empirical Formula (Hill Notation): C9H21N

DETAILS

Sigma Aldrich - 727342

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