N-cyclopentylidenehydroxylamine

• ChemBase ID: 87117
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: N(=C1CCCC1)O
• Canonical SMILES: ON=C1CCCC1
• InChI: InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2
• InChIKey: YGNXYFLJZILPEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentylidenehydroxylamine; N-[(1E)-cyclopentylidene]hydroxylamine; N-[(1Z)-cyclopentylidene]hydroxylamine
• IUPAC Traditional name: cyclopentanone, oxime; N-[(1E)-cyclopentylidene]hydroxylamine; N-[(1Z)-cyclopentylidene]hydroxylamine
• Synonyms: cyclopentan-1-one oxime; Cyclopentanone oxime; CYCLOPENTANONE OXIME; 环戊酮肟

Database IDs

• CAS Number: 1192-28-5
• EC Number: 214-749-8
• MDL Number: MFCD00001420
• PubChem SID: 162074233; 24892353
• PubChem CID: 14500

CALCULATED PROPERTIES

• Acid pKa: 11.759406
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0518466
• LogD (pH = 7.4): 1.0530707
• Log P: 1.0531054
• Molar Refractivity: 27.4681 cm^3
• Polarizability: 10.63469 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53-55 °C(lit.); 54-58°C
• Boiling Point: 196 °C(lit.); 196°C
• Flash Point: 198 °F; 92 °C; 92°C(198°F)

Safety Information

• RTECS: GY5150000
• European Hazard Symbols: X
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 97%
• Linear Formula: C5H8(=NOH)

DETAILS

MP Biomedicals - 05213918

MP Biomedicals Rare Chemical collection