1-(hydrazinecarbonyl)formamide

• ChemBase ID: 110033
• Molecular Formular: C2H5N3O2
• Molecular Mass: 103.08
• Monoisotopic Mass: 103.03817642
• SMILES: NNC(=O)C(=O)N
• Canonical SMILES: NNC(=O)C(=O)N
• InChI: InChI=1S/C2H5N3O2/c3-1(6)2(7)5-4/h4H2,(H2,3,6)(H,5,7)
• InChIKey: MOKRDWKSHLLYKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydrazinecarbonyl)formamide
• IUPAC Traditional name: 1-(hydrazinecarbonyl)formamide
• Synonyms: ‘Semioxamazide’; Oxamic acid hydrazide; 2-hydrazinyl-2-oxoacetamide; AMINOOXAMIDE; “草胺酰肼"; 氨基草酰肼

Database IDs

• CAS Number: 515-96-8
• EC Number: 208-213-2
• MDL Number: MFCD00008004
• Beilstein Number: 1751846
• PubChem SID: 162095572
• PubChem CID: 68200

CALCULATED PROPERTIES

• Acid pKa: 10.182285
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.174363
• LogD (pH = 7.4): -2.1747496
• Log P: -2.1741126
• Molar Refractivity: 22.5671 cm^3
• Polarizability: 8.445903 Å^3
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 216-218 °C (dec.)(lit.)

Safety Information

• RTECS: AF2620000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25
• Safety Statements: 36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 99%
• Linear Formula: NH2COCONHNH2

DETAILS

MP Biomedicals - 05213463

MP Biomedicals Rare Chemical collection

Sigma Aldrich - O9301

Application
Reagent for aldehydes and ketones.