N-(propan-2-yl)cyclohexanamine

• ChemBase ID: 34725
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N(C1CCCCC1)C(C)C
• Canonical SMILES: CC(NC1CCCCC1)C
• InChI: InChI=1S/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
• InChIKey: UYYCVBASZNFFRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)cyclohexanamine
• IUPAC Traditional name: cyclohexylamine, N-isopropyl-
• Synonyms: N-Cyclohexyl-N-isopropylamine; N-ISOPROPYL CYCLOHEXYLAMINE; N-Isopropylcyclohexylamine; N-Cyclohexylisopropylamine; N-异丙基环己胺; N-环己基异丙基胺

Database IDs

• CAS Number: 1195-42-2
• EC Number: 214-798-5
• MDL Number: MFCD00003831
• Beilstein Number: 2070639
• PubChem SID: 24849964; 160998032
• PubChem CID: 62386

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8590282
• LogD (pH = 7.4): -0.66068166
• Log P: 2.379775
• Molar Refractivity: 44.875 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-65 °C/12 mmHg(lit.)
• Flash Point: 114.8 °F; 46 °C
• Density: 0.859 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.448; n20/D 1.448(lit.)

Safety Information

• Storage Warning: IRRITANT
• RTECS: GX1450000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: technical
• Linear Formula: (CH3)2CHNHC6H11

DETAILS

MP Biomedicals - 05221062

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 161977

Packaging
5, 25 g in glass bottle