(butan-2-yl)(ethyl)amine

• ChemBase ID: 29617
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: N(C(CC)C)CC
• Canonical SMILES: CCNC(CC)C
• InChI: InChI=1S/C6H15N/c1-4-6(3)7-5-2/h6-7H,4-5H2,1-3H3
• InChIKey: KFYKZKISJBGVMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butan-2-yl)(ethyl)amine
• IUPAC Traditional name: sec-butyl ethylamine
• Synonyms: N-(sec-Butyl)-N-ethylamine; N-ethylbutan-2-amine

Database IDs

• CAS Number: 21035-44-9
• MDL Number: MFCD08691715
• PubChem SID: 160992924
• PubChem CID: 89416

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7778096
• LogD (pH = 7.4): -1.5258925
• Log P: 1.4598348
• Molar Refractivity: 33.1334 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false