oxalic acid; propylhydrazine

• ChemBase ID: 152325
• Molecular Formular: C5H12N2O4
• Molecular Mass: 164.15978
• Monoisotopic Mass: 164.07970687
• SMILES: CCCNN.C(=O)(C(=O)O)O
• Canonical SMILES: OC(=O)C(=O)O.CCCNN
• InChI: InChI=1S/C3H10N2.C2H2O4/c1-2-3-5-4;3-1(4)2(5)6/h5H,2-4H2,1H3;(H,3,4)(H,5,6)
• InChIKey: ATXLENZWWDUZLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxalic acid; propylhydrazine
• IUPAC Traditional name: oxalic acid; propylhydrazine
• Synonyms: Propylhydrazine oxalate salt; 丙基肼 草酸盐

Database IDs

• CAS Number: 56884-75-4
• EC Number: 260-419-1
• MDL Number: MFCD00043288
• Beilstein Number: 3703104
• PubChem SID: 162246470; 24887963
• PubChem CID: 96079

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 14.4386 cm^3
• Polarizability: 5.8697963 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• 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 3

Product Information

• Purity: ≥98.0% (T)
• Linear Formula: CH3CH2CH2NHNH2 · (COOH)2

DETAILS

Sigma Aldrich - 82340

Packaging
1 g in glass bottle