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1-Aminopyrene-d9

CAT: 0572-TRC-A629287-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A629287-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128008-86-6
Synonyms
1-Pyren-2,3,4,5,6,7,8,9,10-d9-amine (9CI); 1-Aminopyrene-d9; 1-Aminopyrene-D9
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(N)c4c([2H])c([2H])c(c1[2H])c2c34
Molecular Formula
C16 D9 H2 N
Molecular Weight
226.321
InChI
InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D
Additionnal Information
IUPAC name: 2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Aminopyrene-d9
CAS Number128008-86-6
PubChem CID102210345
IUPAC Name2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-amine
Molecular FormulaC16H11N
Molecular Weight226.32
XLogP4.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity300
SMILES
[2H]C1=C(C2=C3C(=C1[2H])C(=C(C4=C(C(=C(C(=C43)C(=C2[2H])[2H])[2H])[2H])N)[2H])[2H])[2H]
InChI
InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
YZVWKHVRBDQPMQ-LOIXRAQWSA-N
Chemical Structure
2D Structure
2D structure of 1-Aminopyrene-d9
CAS: 128008-86-6
CID: 102210345
Formula: C16H11N
MW: 226.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.32
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass226.145640069
Monoisotopic Mass226.145640069
Topological Polar Surface Area26 Ų
Heavy Atom Count17
Formal Charge0
Complexity300
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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