aminourea

• ChemBase ID: 129438
• Molecular Formular: CH5N3O
• Molecular Mass: 75.0699
• Monoisotopic Mass: 75.0432618
• SMILES: C(=O)(N)NN
• Canonical SMILES: NNC(=O)N
• InChI: InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
• InChIKey: DUIOPKIIICUYRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aminourea
• IUPAC Traditional name: semicarbazide
• Synonyms: Semicarbazide; Semicarbazide; 氨基脲

Database IDs

• CAS Number: 57-56-7
• MDL Number: MFCD00042824
• PubChem SID: 162223732; 24862206
• PubChem CID: 5196
• CHEBI ID: 28306
• CHEMBL: 903
• Chemspider ID: 5008
• KEGG ID: C02077
• Wikipedia Title: Semicarbazide

CALCULATED PROPERTIES

• Acid pKa: 12.845258
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.6619806
• LogD (pH = 7.4): -1.6603328
• Log P: -1.6603096
• Molar Refractivity: 17.6267 cm^3
• Polarizability: 6.4545155 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Compostion: , 6 wt. % (on silica gel)
• Linear Formula: H2NCONHNH2

DETAILS

Sigma Aldrich - 363634

Packaging
25, 100 g in glass bottle