cyclododecanamine

• ChemBase ID: 107830
• Molecular Formular: C12H25N
• Molecular Mass: 183.3336
• Monoisotopic Mass: 183.19869981
• SMILES: NC1CCCCCCCCCCC1
• Canonical SMILES: NC1CCCCCCCCCCC1
• InChI: InChI=1S/C12H25N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11,13H2
• InChIKey: HBGGBCVEFUPUNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclododecanamine
• IUPAC Traditional name: cyclododecanamine
• Synonyms: Aminocyclododecane; Cyclododecylamine; CYCLODODECYLAMINE; 氨基环十二烷; 环十二胺

Database IDs

• CAS Number: 1502-03-0
• EC Number: 216-118-2
• MDL Number: MFCD00003718
• Beilstein Number: 2072978
• PubChem SID: 162095105; 24893198
• PubChem CID: 2897

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8132714
• LogD (pH = 7.4): 1.0980269
• Log P: 3.8412237
• Molar Refractivity: 58.539 cm^3
• Polarizability: 23.680191 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 27-29 °C(lit.)
• Boiling Point: 122-124 °C/7 mmHg(lit.)
• Flash Point: 121 °C; 249.8 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3259 8/PG 3

Product Information

• Purity: 97%
• Linear Formula: C12H23NH2

DETAILS

MP Biomedicals - 05205167

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C97806

Packaging
100 g in glass bottle