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2-Naphthylamine-13C6

CAT: 0572-TRC-N378013-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N378013-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329834-19-6
Synonyms
2-Aminonaphthalene-13C6; β-Naphthylamine-13C6; 2-Naphthalenamine-13C6;
Hazard Statement
Harmful if swallowed; UN number: UN1650; Packing Group: II
Smiles
NC1=C[13C]2=[13C](C=C1)[13C]([H])=[13C]([H])[13C]([H])=[13C]2[H]
Molecular Formula
C4¹³C6H9N
Molecular Weight
149.14
InChI
InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2/i1+1,2+1,3+1,4+1,8+1,9+1
Additionnal Information
IUPAC name: naphthalen-2-amine-4a,5,6,7,8,8a-13C6
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Naphthylamine-13C6
CAS Number1329834-19-6
PubChem CID71750944
IUPAC Namenaphthalen-2-amine
Molecular FormulaC10H9N
Molecular Weight149.14
XLogP2.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
C1=C[13C]2=[13CH][13CH]=[13CH][13CH]=[13C]2C=C1N
InChI
InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2/i1+1,2+1,3+1,4+1,8+1,9+1
InChIKey
JBIJLHTVPXGSAM-MROVPUMUSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthylamine-13C6
CAS: 1329834-19-6
CID: 71750944
Formula: C10H9N
MW: 149.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.14
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass149.09362830
Monoisotopic Mass149.09362830
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count6
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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sc-4779682-Naphthylamine-13C6
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