hexanediamide

• ChemBase ID: 104088
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: NC(=O)CCCCC(=O)N
• Canonical SMILES: NC(=O)CCCCC(=O)N
• InChI: InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
• InChIKey: GVNWZKBFMFUVNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexanediamide
• IUPAC Systematic name: Hexanediamide
• IUPAC Traditional name: adipamide
• Synonyms: Hexanedioic diamide; Adipamide; ADIPAMIDE; Butane-1,4-dicarboxamide; 己二酰二胺

Database IDs

• CAS Number: 628-94-4
• EC Number: 211-062-5
• MDL Number: MFCD00008045
• Beilstein Number: 4-02-00-01972
• PubChem SID: 24857616; 162092428
• PubChem CID: 12364
• Chemspider ID: 11858
• MeSH Name: Adipamide
• Wikipedia Title: Adipamide

CALCULATED PROPERTIES

• Acid pKa: 16.139057
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1232309
• LogD (pH = 7.4): -1.1232308
• Log P: -1.1232308
• Molar Refractivity: 36.3834 cm^3
• Polarizability: 14.254132 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 4.4 g/l (12 °C) in water
• Apperance: powder
• Melting Point: 220 - 225 °C; 224-228°C; 226-229 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AU7800000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%
• Linear Formula: H2NCO(CH2)4CONH2

DETAILS

Sigma Aldrich - 292893

Packaging
5, 25 g in glass bottle