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Agmatine | SBID = 726 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 90.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 102.6 | ||
| Sum Formula: | C5H14N4 | ||
| M / g/mol: | 130.19 | ||
| Complexity: | 85.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: Agmatine
- Preferred Abbreviation: Agmatine
- IUPAC Name: 2-(4-aminobutyl)guanidine
- CAS: 306-60-5
- CID: 199
- InChiKey: QYPPJABKJHAVHS-UHFFFAOYSA-N
- InChi: InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
- CanoSmiles: C(CCN=C(N)N)CN
- IsoSmiles: C(CCN=C(N)N)CN
