N,N-dimethylpyridin-4-amine borane

• ChemBase ID: 138157
• Molecular Formular: C7H13BN2
• Molecular Mass: 136.00252
• Monoisotopic Mass: 136.11717883
• SMILES: B.CN(C)c1ccncc1
• Canonical SMILES: CN(c1ccncc1)C.B
• InChI: InChI=1S/C7H10N2.BH3/c1-9(2)7-3-5-8-6-4-7;/h3-6H,1-2H3;1H3
• InChIKey: VDAFLCVOQJYZFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpyridin-4-amine borane
• IUPAC Traditional name: 4-dimethylaminopyridine borane
• Synonyms: 4-(Dimethylamino)pyridine-borane; Borane 4-(dimethylamino)pyridine complex; 4-(二甲氨基)吡啶-硼烷; 硼烷 4-(二甲氨基)吡啶络合物

Database IDs

• PubChem SID: 162232415
• PubChem CID: 71310117

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.11969553
• LogD (pH = 7.4): 0.008813705
• Log P: 0.86361724
• Molar Refractivity: 38.3297 cm^3
• Polarizability: 14.25138 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H13BN2