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3-Isopropylaniline

CAT: 0024-sc-482069Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-482069Size:25 g
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CAS Number
5369-16-4

Chemical Information

3-Isopropylaniline
CAS Number5369-16-4
PubChem CID458679
IUPAC Name3-propan-2-ylaniline
Molecular FormulaC9H13N
Molecular Weight135.21
XLogP2.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity98
SMILES
CC(C)C1=CC(=CC=C1)N
InChI
InChI=1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3
InChIKey
XCCNRBCNYGWTQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Isopropylaniline
CAS: 5369-16-4
CID: 458679
Formula: C9H13N
MW: 135.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.21
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass135.104799419
Monoisotopic Mass135.104799419
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity98.9
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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Alternative Products

CatalogName
FI70312-013-Isopropylaniline
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OR1080551-013-Bromo-4-isopropylaniline
OR79733-013-Bromo-5-isopropylaniline
459255-01N-Isopropylaniline
432903-014-Isopropylaniline
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