3-methoxy-2,2-dimethylpropan-1-amine hydrochloride

• ChemBase ID: 55115
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: O(CC(CN)(C)C)C.Cl
• Canonical SMILES: NCC(COC)(C)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-6(2,4-7)5-8-3;/h4-5,7H2,1-3H3;1H
• InChIKey: IXJYFALFWJVGKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2,2-dimethylpropan-1-amine hydrochloride
• IUPAC Traditional name: 3-methoxy-2,2-dimethylpropan-1-amine hydrochloride
• Synonyms: (3-Methoxy-2,2-dimethylpropyl)amine hydrochloride; (3-Methoxy-2,2-dimethylpropyl)amine hydrochloride; 3-Methoxy-2,2-dimethyl-1-propanamine Hydrochloride; 3-Methoxy-2,2-dimethylpropylamine Hydrochloride

Database IDs

• CAS Number: 171268-71-6; 767264-22-2
• MDL Number: MFCD12031492
• PubChem SID: 162059878
• PubChem CID: 46782157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6536236
• LogD (pH = 7.4): -1.9938979
• Log P: 0.3592005
• Molar Refractivity: 34.587 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Brownish-Grey Solid
• Melting Point: 100-102°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C6H16ClNO

DETAILS

Sigma Aldrich - CBR00889

Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com.
Legal Information
Product of ChemBridge Corp.