2-Hydroxyputrescine
PubChem CID: 164656
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| Compound Synonyms | 1,4-Diamino-2-butanol, 1,4-diaminobutan-2-ol, 2-Hydroxyputrescine, 539-59-3, CHEBI:180907, DTXSID10968687, SCHEMBL21575, SCHEMBL8660136, DTXCID70987435, HXMVNCMPQGPRLN-UHFFFAOYSA-N, AKOS006337449, EN300-1228737 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Polyamines |
| Deep Smiles | NCCCCN))O |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 40.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-diaminobutan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H12N2O |
| Inchi Key | HXMVNCMPQGPRLN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-hydroxyputrescine |
| Esol Class | Highly soluble |
| Functional Groups | CN, CO |
| Compound Name | 2-Hydroxyputrescine |
| Exact Mass | 104.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 104.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H12N2O/c5-2-1-4(7)3-6/h4,7H,1-3,5-6H2 |
| Smiles | C(CN)C(CN)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Ornithine alkaloids |
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FOUND_INto/from Wisteria Floribunda (Plant) Rel Props:Reference:ISBN:9788172363093