4-nitrophenyl N,N-dimethylcarbamate

• ChemBase ID: 256055
• Molecular Formular: C9H10N2O4
• Molecular Mass: 210.1867
• Monoisotopic Mass: 210.06405681
• SMILES: [N+](=O)(c1ccc(OC(=O)N(C)C)cc1)[O-]
• Canonical SMILES: CN(C(=O)Oc1ccc(cc1)[N+](=O)[O-])C
• InChI: InChI=1S/C9H10N2O4/c1-10(2)9(12)15-8-5-3-7(4-6-8)11(13)14/h3-6H,1-2H3
• InChIKey: YBRIFDNEMBTBMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-nitrophenyl N,N-dimethylcarbamate
• IUPAC Traditional name: 4-nitrophenyldimethylcarbamate
• Synonyms: 4-nitrophenyl dimethylcarbamate

Database IDs

• CAS Number: 7244-70-4
• MDL Number: MFCD00447610
• PubChem SID: 164311965
• PubChem CID: 81656

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6342976
• LogD (pH = 7.4): 1.6342976
• Log P: 1.6342976
• Molar Refractivity: 52.9852 cm^3
• Polarizability: 19.69235 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.47

Product Information

• Purity: 95%