Putrescine
precursor
Showing entry for Putrescine
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
- butane-1,4-diamine
- 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
External Links
- ChEBI
- 17148
- PubChem
- 1045
- Chemistry Dashboard
- DTXSID4041107
- KNApSAcK
- C00001428
- MetaboLights
- MTBLC17148
- PeakForestCompound
- 000606
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
- ["Biogenic amines", "alkane-alpha,omega-diamine", "an aliphatic α,ω-diamine"]
- Substituent Names
- ["Aliphatic acyclic compound", "Hydrocarbon derivative", "Organopnictogen compound", "Primary aliphatic amine"]
Spectra from Phytohub
Food Sources
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