octanehydrazide

• ChemBase ID: 25810
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C(=O)(NN)CCCCCCC
• Canonical SMILES: CCCCCCCC(=O)NN
• InChI: InChI=1S/C8H18N2O/c1-2-3-4-5-6-7-8(11)10-9/h2-7,9H2,1H3,(H,10,11)
• InChIKey: VMUZVGRNTPFTKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octanehydrazide
• IUPAC Traditional name: octanoic acid hydrazide
• Synonyms: Octanohydrazide; Caprylic hydrazide; Octanoic hydrazide; Octanoic hydrazide; Caprylic hydrazide; Octanehydrazide; 酰肼; 辛酰肼

Database IDs

• CAS Number: 6304-39-8
• EC Number: 228-612-5
• MDL Number: MFCD00011588
• Beilstein Number: 1757322
• PubChem SID: 24857651; 24852995; 160989117
• PubChem CID: 80556

CALCULATED PROPERTIES

• Acid pKa: 13.587532
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5940617
• LogD (pH = 7.4): 1.5965827
• Log P: 1.5966152
• Molar Refractivity: 46.5819 cm^3
• Polarizability: 18.098278 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-89 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ~80%; 80%; 95+%
• Grade: technical; technical grade
• Linear Formula: CH3(CH2)6CONHNH2

DETAILS

Sigma Aldrich - 293342

Packaging
25 g in poly bottle