cycloheptanamine

• ChemBase ID: 74481
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: NC1CCCCCC1
• Canonical SMILES: NC1CCCCCC1
• InChI: InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
• InChIKey: VXVVUHQULXCUPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloheptanamine
• IUPAC Traditional name: cycloheptanamine
• Synonyms: Cycloheptylamine; Aminocycloheptane; Cycloheptylamine; 环庚烷胺; 环庚胺

Database IDs

• CAS Number: 5452-35-7
• EC Number: 226-693-1
• MDL Number: MFCD00004153
• Beilstein Number: 1847543
• PubChem SID: 24893208; 24857368; 162039400
• PubChem CID: 2899

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4095719
• LogD (pH = 7.4): -1.1248164
• Log P: 1.6183803
• Molar Refractivity: 35.534 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -18°C
• Boiling Point: 53-55°C/11mm; 54 °C/11 mmHg(lit.)
• Flash Point: 116.6 °F; 42°C(107°F); 47 °C
• Density: 0.888; 0.889 g/mL at 25 °C(lit.)
• Refractive Index: 1.4724; n20/D 1.472; n20/D 1.472(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 2734; UN2733
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; III
• Risk Statements: 10-34; 10-37/38; R:36/37/38
• Safety Statements: 23; 23-26-36/37/39-45; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H335; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 97%; 99%
• Grade: purum
• Linear Formula: C7H13NH2

DETAILS

MP Biomedicals - 05203875

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C99604

Packaging
25, 100 g in glass bottle