4,4-dimethoxybutan-1-amine

• ChemBase ID: 295667
• Molecular Formular: C6H15NO2
• Molecular Mass: 133.1888
• Monoisotopic Mass: 133.11027873
• SMILES: COC(CCCN)OC
• Canonical SMILES: NCCCC(OC)OC
• InChI: InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3
• InChIKey: TYVAXMOICMBSMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethoxybutan-1-amine
• IUPAC Traditional name: 4,4-dimethoxybutan-1-amine
• Synonyms: 1-Amino-4,4-dimethoxybutane; 4,4-Dimethoxybutylamine; 4-Aminobutyraldehyde dimethyl acetal; 4-氨基丁醛二甲基缩醛

Database IDs

• CAS Number: 19060-15-2
• EC Number: 407-690-6
• MDL Number: MFCD00189373
• PubChem SID: 180681198
• PubChem CID: 5463803

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0687819
• LogD (pH = 7.4): -2.6456075
• Log P: -0.044910867
• Molar Refractivity: 36.3638 cm^3
• Polarizability: 14.696601 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85°C/22mm
• Flash Point: 59°C(138°F)
• Refractive Index: 1.4300

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN2734
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 22-34-43-52/53
• Safety Statements: 26-36/37/39-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H314-H226-H302-H317-H412
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98+%