(2R)-hexan-2-amine

• ChemBase ID: 143227
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CCCC[C@@H](C)N
• Canonical SMILES: CCCC[C@H](N)C
• InChI: InChI=1S/C6H15N/c1-3-4-5-6(2)7/h6H,3-5,7H2,1-2H3/t6-/m1/s1
• InChIKey: WGBBUURBHXLGFM-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-hexan-2-amine
• IUPAC Traditional name: (2R)-hexan-2-amine
• Synonyms: (R)-2-Hexylamine; (R)-2-Aminohexane; (2R)-Hexylamine; (R)-1-Methylpentylamine; (R)-(-)-2-Aminohexane; (R)-2-己基胺; (R)-2-氨基己烷; (R)-(-)-2-氨基己烷

Database IDs

• CAS Number: 70095-40-8
• EC Number: 000-000-0
• MDL Number: MFCD00671627
• Beilstein Number: 1718994; 5237601
• PubChem SID: 162237448; 24858217
• PubChem CID: 6993464

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.468077
• LogD (pH = 7.4): -1.1717782
• Log P: 1.5595838
• Molar Refractivity: 32.8122 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-20°C
• Boiling Point: 116°C
• Flash Point: <131 °F; <55 °C; -3°C(26°F)
• Density: 0.755

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 2735; UN2733
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; II
• Risk Statements: 10-21/22-35; 11-20/21/22-34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H318-H302-H312-H332; H226-H301-H311-H314
• GHS Precautionary statements: P210-P280-P305+P351+P338-P309-P310; P280-P301 + P310-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% (GC); ≥99%; ≥99.0% (GC); ChiPros 99+%, ee 96+%
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥99.0%; enantiomeric ratio: >99.0:1.0 (GC)
• Empirical Formula (Hill Notation): C6H15N

DETAILS

Sigma Aldrich - 30192

Packaging
250 mg in glass bottle

Sigma Aldrich - 727164

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