nonane-1,9-diamine

• ChemBase ID: 74492
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: NCCCCCCCCCN
• Canonical SMILES: NCCCCCCCCCN
• InChI: InChI=1S/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2
• InChIKey: SXJVFQLYZSNZBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonane-1,9-diamine
• IUPAC Traditional name: nonane-1,9-diamine
• Synonyms: 1,9-Diaminononane; 1,9-Nonanediamine; Nonamethylenediamine; 1,9-Diaminononane; 1,9-壬烷二胺; 伸壬基二胺; 1,9-二氨基壬烷

Database IDs

• CAS Number: 646-24-2
• EC Number: 211-470-3
• MDL Number: MFCD00008251
• Beilstein Number: 1737533
• PubChem SID: 24851254; 24860007; 162039411
• PubChem CID: 69534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.6702533
• LogD (pH = 7.4): -3.8307004
• Log P: 1.3777231
• Molar Refractivity: 50.3836 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-37 °C; 35-37 °C(lit.); 36-40°C
• Boiling Point: 258-259 °C/756 mmHg(lit.); 258-259°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3259; UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3259 8/PG 2

Product Information

• Purity: ≥95.0% (NT); 98%
• Grade: purum
• Impurities: ≤2% water
• Linear Formula: NH2(CH2)9NH2

DETAILS

Sigma Aldrich - 187127

Packaging
5, 25 g in glass bottle