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5-Aminopentanal

CAT: 0013-GTR19279576-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279576-01Size:10 mg
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Description
5-Aminopentanal is a nucleoside metabolite.
CAS Number
14049-15-1
Smiles
O=CCCCCN
Molecular Formula
C5H11NO
Molecular Weight
101.15
Notes
For research use only.

Chemical Information

5-Aminopentanal

5-aminopentanal is an -aminoaldehyde that is pentanal which is substituted at position 5 by an amino group. It is an intermediate in the biosynthesis of L-lysine derived alkaloids. It has a role as a plant metabolite. It is a conjugate base of a 5-ammoniopentanal.

CAS Number14049-15-1
PubChem CID443849
IUPAC Name5-aminopentanal
Molecular FormulaC5H11NO
Molecular Weight101.15
XLogP-0.6
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity45
SMILES
C(CCN)CC=O
InChI
InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2
InChIKey
SZBGXBOFCGNPEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Aminopentanal
CAS: 14049-15-1
CID: 443849
Formula: C5H11NO
MW: 101.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight101.15
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass101.084063974
Monoisotopic Mass101.084063974
Topological Polar Surface Area43.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity45.3
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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