O-(cyclopropylmethyl)hydroxylamine

• ChemBase ID: 71207
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: NOCC1CC1
• Canonical SMILES: NOCC1CC1
• InChI: InChI=1S/C4H9NO/c5-6-3-4-1-2-4/h4H,1-3,5H2
• InChIKey: YHNRUSMOYCDMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(cyclopropylmethyl)hydroxylamine
• IUPAC Traditional name: O-(cyclopropylmethyl)hydroxylamine
• Synonyms: O-(Cyclopropylmethyl)hydroxylamine

Database IDs

• CAS Number: 75647-90-4
• PubChem SID: 162036809
• PubChem CID: 11182605

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.38498294
• LogD (pH = 7.4): 0.41760936
• Log P: 0.41804162
• Molar Refractivity: 24.273 cm^3
• Polarizability: 9.589044 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false