Aniline d5

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Catalog Number
ACM4165611
Product Name
Aniline d5
Structure
Structure
CAS
4165-61-1
Category
Heterocyclic Organic Compound
Synonyms
Benzen-d5-amine
IUPAC Name
2,3,4,5,6-pentadeuterioaniline
Molecular Weight
98.16
Molecular Formula
C6H2D5N
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
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