Aniline d5

• CAS: 4165-61-1
• Catalog Number: ACM4165611
• Category: Other Products
• Molecular Weight: 98.16
• Molecular Formula: C6H2D5N
• Synonyms: Benzen-d5-amine
• IUPAC Name: 2,3,4,5,6-pentadeuterioaniline
• Canonical SMILES: C1=CC=C(C=C1)N
• InChI Key: PAYRUJLWNCNPSJ-RALIUCGRSA-N
• Boiling Point: 184ºC(lit.)
• Melting Point: -6ºC(lit.)
• Flash Point: 158 °F
• Density: 1.076 g/mL at 25ºC
• Complexity: 46
• Defined Atom Stereocenter Count: 0
• EC Number: 224-015-9
• Exact Mass: 98.0892
• Formal Charge: 0
• Hazard Statements: T,N
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 5
• Monoisotopic Mass: 98.0892
• Rotatable Bond Count: 0
• Safety Description: S28-S36/37-S45-S61
• Topological Polar Surface Area: 26 Ų
• XLogP3-AA: 0.9