azepan-1-amine

• ChemBase ID: 111729
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: NN1CCCCCC1
• Canonical SMILES: NN1CCCCCC1
• InChI: InChI=1S/C6H14N2/c7-8-5-3-1-2-4-6-8/h1-7H2
• InChIKey: UGBKOURNNQREPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azepan-1-amine
• IUPAC Traditional name: azepan-1-amine
• Synonyms: N-AMINOHOMOPIPERDINE; N-Aminohexamethyleneimine; 1-Aminohomopiperidine; N-氨基环己亚胺; 1-氨基高哌啶

Database IDs

• CAS Number: 5906-35-4
• EC Number: 227-609-6
• MDL Number: MFCD00003260
• PubChem SID: 24891006; 162096711
• PubChem CID: 22198

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22216623
• LogD (pH = 7.4): 0.40836674
• Log P: 0.4269146
• Molar Refractivity: 35.9205 cm^3
• Polarizability: 13.9129 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 165 °C(lit.)
• Flash Point: 132.8 °F; 56 °C
• Density: 0.984 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.485(lit.)

Safety Information

• RTECS: CM3165000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• 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, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H14N2

DETAILS

MP Biomedicals - 05220593

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A56450

Packaging
5 g in glass bottle