nitrosodipentylamine

• ChemBase ID: 166847
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: CCCCCN(CCCCC)N=O
• Canonical SMILES: CCCCCN(N=O)CCCCC
• InChI: InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3
• InChIKey: OELWBYBVFOLSTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nitrosodipentylamine
• IUPAC Traditional name: N-nitrosodiamylamine
• Synonyms: N-Nitroso-N-pentyl-1-pentanamine; N-Nitrosodipentylamine; Diamylnitrosamine; Dipentylnitrosamine; N-Nitrosodiamylamine; NSC 73601; N,N-Diamylnitrosamine

Database IDs

• CAS Number: 13256-06-9
• PubChem SID: 162260980
• PubChem CID: 252237

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5750616
• LogD (pH = 7.4): 3.575543
• Log P: 3.5755491
• Molar Refractivity: 56.9997 cm^3
• Polarizability: 21.6144 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Refrigerator