butylhydrazine; oxalic acid

• ChemBase ID: 152570
• Molecular Formular: C6H14N2O4
• Molecular Mass: 178.18636
• Monoisotopic Mass: 178.09535694
• SMILES: CCCCNN.C(=O)(C(=O)O)O
• Canonical SMILES: OC(=O)C(=O)O.CCCCNN
• InChI: InChI=1S/C4H12N2.C2H2O4/c1-2-3-4-6-5;3-1(4)2(5)6/h6H,2-5H2,1H3;(H,3,4)(H,5,6)
• InChIKey: WXOBLSRQYOWIBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butylhydrazine; oxalic acid
• IUPAC Traditional name: butylhydrazine; oxalic acid
• Synonyms: Butylhydrazine oxalate salt; 丁基肼 草酸盐

Database IDs

• CAS Number: 40711-41-9
• EC Number: 255-050-8
• MDL Number: MFCD00043289
• Beilstein Number: 3704357
• PubChem SID: 162246715; 24851939
• PubChem CID: 162021

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.027246254
• LogD (pH = 7.4): 0.50261855
• Log P: 0.5137847
• Molar Refractivity: 38.7693 cm^3
• Polarizability: 10.95869 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-165 °C

Safety Information

• RTECS: MV0840000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 21/22
• Safety Statements: 24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: ≥98.0% (T)
• Linear Formula: CH3(CH2)3NHNH2 · (COOH)2

DETAILS

Sigma Aldrich - 19980

Other Notes
Sales restrictions may apply
Packaging
25 g in glass bottle