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2-Isopropylnaphthalene

CAT: 0013-GTR19248336Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248336Size:500 mg
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Description
2-Isopropylnaphthalene is a polycyclic aromatic hydrocarbon (PAH) widely used in biochemical experiments and drug synthesis research.
CAS Number
2027-17-0
Purity
99.15% (May vary between batches)
Smiles
C=1C=CC=2C=C (C=CC2C1) C (C) C
Molecular Formula
C13H14
Molecular Weight
170.25
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

2-Isopropylnaphthalene

RN given refers to parent cpd

CAS Number2027-17-0
PubChem CID16238
IUPAC Name2-propan-2-ylnaphthalene
Molecular FormulaC13H14
Molecular Weight170.25
XLogP4.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
CC(C)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3
InChIKey
TVYVQNHYIHAJTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Isopropylnaphthalene
CAS: 2027-17-0
CID: 16238
Formula: C13H14
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass170.109550447
Monoisotopic Mass170.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
Isotope Atom Count0
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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