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Isopentylamine

CAT: 0024-sc-250191ASize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-250191ASize:100 g
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CAS Number
107-85-7

Chemical Information

Isoamylamine

Isopentylamine is a primary aliphatic amine that is butan-1-amine carrying a methyl substituent at position 3. It has a role as a plant metabolite and a bacterial metabolite.

CAS Number107-85-7
PubChem CID7894
IUPAC Name3-methylbutan-1-amine
Molecular FormulaC5H13N
Molecular Weight87.16
XLogP1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity25
SMILES
CC(C)CCN
InChI
InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKey
BMFVGAAISNGQNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoamylamine
CAS: 107-85-7
CID: 7894
Formula: C5H13N
MW: 87.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight87.16
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass87.104799419
Monoisotopic Mass87.104799419
Topological Polar Surface Area26 Ų
Heavy Atom Count6
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
OR12816-01Isopentylamine
OR1078976-01Isopentylamine Hydrobromide
OR1078896-01Isopentylamine Hydroiodide

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