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 Precursor
- 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 Online Resources
Record ID | Source | Description | View |
---|---|---|---|
JP003996 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007353 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
KO002423 | MassBank | LC-ESI-QQ Spectrum - 10 V, unspecified | View Spectra |
KO002424 | MassBank | LC-ESI-QQ Spectrum - 20 V, unspecified | View Spectra |
KO002425 | MassBank | LC-ESI-QQ Spectrum - 30 V, unspecified | View Spectra |
KO002426 | MassBank | LC-ESI-QQ Spectrum - 40 V, unspecified | View Spectra |
KO002427 | MassBank | LC-ESI-QQ Spectrum - 50 V, unspecified | View Spectra |
KZ000260 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
OUF00431 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PR010101 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PR100038 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PS006801 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS006802 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Endive | Vegetables, Leaf vegetables | Publications | Show | |
Grapefruit | Fruit, Citrus | Publications | Show | |
Lentils | Pulses and beans | Publications | Show | |
Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
Mung bean | Pulses and beans | Publications | Show | |
pak-choi | Vegetables, Cabbages | Publications | Show | |
Soy bean | Soy and soy products | Publications | Show | |
Sweet orange | Fruit, Citrus | Publications | Show |
Metabolism
No metabolism information available
Inter-Individual Variations Metabolism
No data on inter-individual variations available