Identification

PhytoHub ID
PHUB000774
Name
Cadaverine
Systematic Name
Not Available
Synonyms
  • Animal coniine
  • Pentamethylenediamine
  • Pentane-1,5-diamine
CAS Number
Not Available
Average Mass
102.181
Monoisotopic Mass
102.115698459
Chemical Formula
C5H14N2
IUPAC Name
pentane-1,5-diamine
InChI Key
VHRGRCVQAFMJIZ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
SMILES
NCCCCCN
Structure

Calculated Properties

Solubility (ALOGPS)
8.91e+01 g/l
LogS (ALOGPS)
-0.06
LogP (ALOGPS)
-0.27
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
4
Polar Surface Area
52.04
Refractivity
31.979599999999998
Polarizability
13.112767429733221
Formal Charge
0
Physiological Charge
2
pKa (strongest basic)
10.506503804690274
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 Food Phytochemical

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

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Organonitrogen compounds
Super-class
Organic nitrogen compounds
Sub-class
Amines
Direct Parent Name
Monoalkylamines
Alternative Parent Names
["Hydrocarbon derivatives", "Organopnictogen compounds"]
External Descriptor Annotations
["alkane-alpha,omega-diamine", "an aliphatic α,ω-diamine"]
Substituent Names
["Aliphatic acyclic compound", "Hydrocarbon derivative", "Organopnictogen compound", "Primary aliphatic amine"]

Spectra from Online Resources

Record IDSourceDescriptionView
GLS00116MassBankEI-B Spectrum - -, unspecifiedView Spectra
KO002542MassBankLC-ESI-QQ Spectrum - 10 V, unspecifiedView Spectra
KO002543MassBankLC-ESI-QQ Spectrum - 20 V, unspecifiedView Spectra
KO002544MassBankLC-ESI-QQ Spectrum - 30 V, unspecifiedView Spectra
KO002545MassBankLC-ESI-QQ Spectrum - 40 V, unspecifiedView Spectra
KO002546MassBankLC-ESI-QQ Spectrum - 50 V, unspecifiedView Spectra
KZ000016MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
KZ000112MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
OUF00131MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR010010MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR100024MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS004401ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS004402ReSpectN/A Spectrum - 20, [M+H]+View Spectra

Food Sources

NameGroup
LentilsPulses and beans PublicationsShow
Mung beanPulses and beans PublicationsShow
Radish, JapaneseVegetables, Root vegetables PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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