1-butylazepane

• ChemBase ID: 143178
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: CCCCN1CCCCCC1
• Canonical SMILES: CCCCN1CCCCCC1
• InChI: InChI=1S/C10H21N/c1-2-3-8-11-9-6-4-5-7-10-11/h2-10H2,1H3
• InChIKey: IIUDBWFOJYPWAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butylazepane
• IUPAC Traditional name: 1-butylazepane
• Synonyms: N-Butylhexamethyleneimine; N-丁基六亚甲基亚胺

Database IDs

• CAS Number: 15753-35-2
• MDL Number: MFCD00037093
• PubChem SID: 24874770; 162237399
• PubChem CID: 417956

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.68421525
• LogD (pH = 7.4): -0.29295117
• Log P: 2.8090034
• Molar Refractivity: 50.6047 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 143.6 °F; 62 °C
• Density: 0.836 g/mL at 25 °C
• Refractive Index: n20/D 1.456

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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%
• Empirical Formula (Hill Notation): C10H21N

DETAILS

Sigma Aldrich - 571954

Packaging
1 g in glass bottle