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Isopentylamine Hydroiodide

CAT: 0127-OR1078896-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1078896-01Size:1 g
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CAS Number
2733412-76-3
Synonyms
3-Methylbutan-1-amine Hydroiodide / Isopentylammonium Iodide
MDL Number
MFCD33021473
Purity
>98.0%
Smiles
CC (C) CC[NH3+].[I-]

Chemical Information

Isopentylamine Hydroiodide
CAS Number2733412-76-3
PubChem CID23618402
IUPAC Name3-methylbutylazanium iodide
Molecular FormulaC5H14IN
Molecular Weight215.08
Topological Polar Surface Area27.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity25
SMILES
CC(C)CC[NH3+].[I-]
InChI
InChI=1S/C5H13N.HI/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H
InChIKey
UZHWWTHDRVLCJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopentylamine Hydroiodide
CAS: 2733412-76-3
CID: 23618402
Formula: C5H14IN
MW: 215.08
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.08
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass215.01710
Monoisotopic Mass215.01710
Topological Polar Surface Area27.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity25.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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