4-Guanidino-1-butanol
PubChem CID: 5317848
Connections displayed (default: 10).
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| Compound Synonyms | 4-Guanidino-1-butanol, 2-(4-hydroxybutyl)guanidine, 17581-95-2, DTXSID70415728, 1-(4-hydroxybutyl)guanidine, SCHEMBL1587580, CHEMBL4794818, CHEBI:80947, DTXCID00366577, Guanidine, N-(4-hydroxybutyl)-, AKOS006339193, C17146, Q27154918 |
|---|---|
| Topological Polar Surface Area | 84.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxybutyl)guanidine |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Molecular Formula | C5H13N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FULLTSYFDLSFSF-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.971 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.518 |
| Compound Name | 4-Guanidino-1-butanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 131.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 131.106 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 131.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.24374060000000003 |
| Inchi | InChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4-9/h9H,1-4H2,(H4,6,7,8) |
| Smiles | C(CCO)CN=C(N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients