cycloheptylmethanamine

• ChemBase ID: 165176
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1CCC(CCC1)CN
• Canonical SMILES: NCC1CCCCCC1
• InChI: InChI=1S/C8H17N/c9-7-8-5-3-1-2-4-6-8/h8H,1-7,9H2
• InChIKey: CAOQEOHEZKVYOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloheptylmethanamine
• IUPAC Traditional name: cycloheptylmethanamine
• Synonyms: Cycloheptanemethanamine Hydrochloride; Aminomethylcycloheptane Hydrochloride; Cycloheptylmethanamine Hydrochloride; Cycloheptylmethylamine; (Aminomethyl)cycloheptane; Cycloheptylmethylamine; Cycloheptanemethylamine; CycloheptylMethanaMine; 环庚甲胺

Database IDs

• CAS Number: 177352-26-0; 4448-77-5
• EC Number: 224-692-0
• MDL Number: MFCD00021674
• Beilstein Number: 2958734
• PubChem SID: 162259309
• PubChem CID: 78194

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0908965
• LogD (pH = 7.4): -0.6799881
• Log P: 1.9333931
• Molar Refractivity: 40.2648 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-101°C/35mm
• Flash Point: 70°C(158°F)
• Density: 0.884
• Refractive Index: 1.4740

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%; 98+%

DETAILS

Toronto Research Chemicals - C987875

Used for the preparation of phenylcanthenes derivatives with allergy inhibiting activity. Also, it is used for the preparation of substituted imidazoquinolines, imidazonaphthyridines, and imidazopyridines for inducing cytokine biosynthesis.

REFERENCES

• Sjoerdsma, A., et al.: Clin. Pharmacol. Ther., 35, 287 (1984)
• Kwon, D., et al.: J. Biol. Chem., 272, 2429 (1984)
• Li, Z., et al.: Bioorg. Med. Chem. Lett., 11, 251 (1984)
• Lee, B., et al.: J. Med. Chem., 48, 7400 (1984)