Identification

PhytoHub ID
PHUB000781
Name
Putrescine
Systematic Name
Not Available
Synonyms
  • Butane-1,4-diamine
  • Tetramethylenediamine
CAS Number
Not Available
Average Mass
88.154
Monoisotopic Mass
88.100048394
Chemical Formula
C4H12N2
IUPAC Name
putrescine
InChI Key
KIDHWZJUCRJVML-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
SMILES
NCCCCN
Structure

Calculated Properties

Solubility (ALOGPS)
2.36e+02 g/l
LogS (ALOGPS)
0.43
LogP (ALOGPS)
-0.98
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
52.04
Refractivity
27.3786
Polarizability
11.070241676529026
Formal Charge
0
Physiological Charge
2
pKa (strongest basic)
10.505115467408618
pKa (strongest acidic)
Not Available
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
N-containing compounds
Class
Amines
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP003996MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007353MassBankEI-B Spectrum - -, [M]+*View Spectra
KO002423MassBankLC-ESI-QQ Spectrum - 10 V, unspecifiedView Spectra
KO002424MassBankLC-ESI-QQ Spectrum - 20 V, unspecifiedView Spectra
KO002425MassBankLC-ESI-QQ Spectrum - 30 V, unspecifiedView Spectra
KO002426MassBankLC-ESI-QQ Spectrum - 40 V, unspecifiedView Spectra
KO002427MassBankLC-ESI-QQ Spectrum - 50 V, unspecifiedView Spectra
KZ000260MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
OUF00431MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR010101MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR100038MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS006801ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS006802ReSpectN/A Spectrum - 20, [M+H]+View Spectra

Food Sources

NameGroup
EndiveVegetables, Leaf vegetables PublicationsShow
GrapefruitFruit, Citrus PublicationsShow
LentilsPulses and beans PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
Mung beanPulses and beans PublicationsShow
pak-choiVegetables, Cabbages PublicationsShow
Soy beanSoy and soy products PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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