(2H8)hexanedihydrazide

• ChemBase ID: 136218
• Molecular Formular: C6H14N4O2
• Molecular Mass: 174.20096
• Monoisotopic Mass: 174.11167571
• SMILES: C(C(=O)NN)CCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCCC(=O)NN
• InChI: InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
• InChIKey: IBVAQQYNSHJXBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₈)hexanedihydrazide
• IUPAC Traditional name: (^2H₈)hexanedihydrazide
• Synonyms: Adipic-d8 acid dihydrazide; 己二酸-d8 二酰肼

Database IDs

• MDL Number: MFCD15144863
• PubChem SID: 162230489
• PubChem CID: 71309670

CALCULATED PROPERTIES

• Acid pKa: 12.649596
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -1.7212892
• LogD (pH = 7.4): -1.716249
• Log P: -1.7161822
• Molar Refractivity: 45.3516 cm^3
• Polarizability: 17.123558 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180-182 °C(lit.)
• Flash Point: 150 °C; 302 °F
• Mass Shift: M+8

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 182.09 by atom % calculation
• Linear Formula: NH2NHCO(CD2)4CONHNH2

DETAILS

Sigma Aldrich - 717266

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.