(4-aminobutyl)dimethylamine

• ChemBase ID: 10703
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(CCCCN)(C)C
• Canonical SMILES: NCCCCN(C)C
• InChI: InChI=1S/C6H16N2/c1-8(2)6-4-3-5-7/h3-7H2,1-2H3
• InChIKey: GCOWZPRIMFGIDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminobutyl)dimethylamine
• IUPAC Traditional name: (4-aminobutyl)dimethylamine
• Synonyms: (4-aminobutyl)dimethylamine; 4-Dimethylaminobutylamine; N,N-Dimethyl-1,4-butanediamine; 4-DIMETHYLAMINOBUTYLAMINE; 4-(Dimethylamino)butylamine; N,N-Dimethylbutane-1,4-diamine; N,N-Dimethylaminobutylamine; N,N-二甲基1,4-丁二胺

Database IDs

• CAS Number: 3529-10-0
• EC Number: 222-559-1
• MDL Number: MFCD00047977
• PubChem SID: 160974010
• PubChem CID: 77063

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.488151
• LogD (pH = 7.4): -4.9845185
• Log P: -0.029491933
• Molar Refractivity: 37.4479 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 71-73°C/35mm; 73°C/ 35mm
• Refractive Index: 1.4400
• Hydrophobicity(logP): -0.282

Safety Information

• Storage Warning: Air Sensitive; CORROSIVE; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 97%; 98%

DETAILS

MP Biomedicals - 05203044

MP Biomedicals Rare Chemical collection