3,3-dimethylbutan-2-amine

• ChemBase ID: 26207
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: C(C(N)C)(C)(C)C
• Canonical SMILES: CC(C(C)(C)C)N
• InChI: InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3
• InChIKey: DXSUORGKJZADET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylbutan-2-amine
• IUPAC Traditional name: 2-butanamine, 3,3-dimethyl-
• Synonyms: 2-Amino-3,3-dimethylbutane; (±)-3,3-Dimethyl-2-butylamine; 3,3-dimethylbutan-2-amine; (1,2,2-trimethylpropyl)amine; 1,2,2-Trimethylpropylamine; (+/-)-3,3-二甲基-2-丁胺

Database IDs

• CAS Number: 3850-30-4
• EC Number: 223-353-4
• MDL Number: MFCD00008078
• PubChem SID: 160989514
• PubChem CID: 520907

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6097478
• LogD (pH = 7.4): -1.1667402
• Log P: 1.4134202
• Molar Refractivity: 32.4799 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.755
• Hydrophobicity(logP): 1.501

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34
• Safety Statements: 20-26-36/37/39-45-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%; 98%