(2,2-dimethylpropyl)(ethyl)amine hydrochloride

• ChemBase ID: 32178
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: C(CNCC)(C)(C)C.Cl
• Canonical SMILES: CCNCC(C)(C)C.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-5-8-6-7(2,3)4;/h8H,5-6H2,1-4H3;1H
• InChIKey: RZUZRKJVXPJKJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylpropyl)(ethyl)amine hydrochloride
• IUPAC Traditional name: (2,2-dimethylpropyl)(ethyl)amine hydrochloride
• Synonyms: N-Ethyl-2,2-dimethyl-1-propanamine hydrochloride

Database IDs

• MDL Number: MFCD11226476
• PubChem SID: 160995485
• PubChem CID: 19433831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4503555
• LogD (pH = 7.4): -1.1549151
• Log P: 1.7862335
• Molar Refractivity: 37.5843 cm^3
• Polarizability: 15.189125 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