dodecane-1,12-diamine

• ChemBase ID: 104892
• Molecular Formular: C12H28N2
• Molecular Mass: 200.36412
• Monoisotopic Mass: 200.22524891
• SMILES: NCCCCCCCCCCCCN
• Canonical SMILES: NCCCCCCCCCCCCN
• InChI: InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
• InChIKey: QFTYSVGGYOXFRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecane-1,12-diamine
• IUPAC Traditional name: 1,12-dodecamethylenediamine
• Synonyms: 1,12-Dodecanediamine; Dodecamethylenediamine; 1,12-Diaminododecane; 1,12-DIAMINODODECANE; Dodecane-1,12-diamine; 1,12-十二烷胺; 十二亚甲基二胺; 1,12-二氨基十二烷

Database IDs

• CAS Number: 2783-17-7
• EC Number: 220-489-6
• MDL Number: MFCD00008155
• Beilstein Number: 1742765
• PubChem SID: 24893504; 162092230
• PubChem CID: 17727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3365474
• LogD (pH = 7.4): -2.4969943
• Log P: 2.711429
• Molar Refractivity: 64.1866 cm^3
• Polarizability: 25.940214 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67-69 °C(lit.); 68-70 °C; 68-72°C
• Flash Point: 155 °C; 155°C(311°F); 311 °F

Safety Information

• RTECS: JR2200000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3259
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34-43; 22-36/37/38
• Safety Statements: 26-36/37; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H317; H314-H318-H302-H317
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 3

Product Information

• Purity: ≥97.0% (NT); 95+%; 98%; 98+%
• Grade: purum
• Linear Formula: NH2(CH2)12NH2

DETAILS

MP Biomedicals - 05208687

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157580

(1,12-Dodecanediamine)
Crystalline

Sigma Aldrich - D16401

Packaging
25 g in poly bottle
5 g in glass bottle
Application
Feedstock for polymer synthesis. Source of twelve carbon chain for medicinal drugs.1