Guanoctine
Basic information
- CAS
3658-25-1- Standard SMILES
CC(C)(C)CC(C)(C)N=C(N)N- InChIKey
BCPFWSWROVXGQA-UHFFFAOYSA-N- Molecular formula
- C9H21N3
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.17354768
Overview
Guanoctine is a small molecule drug. Guanoctine has a monoisotopic molecular weight of 171.17 Da.
Names & identifiers
- Preferred name
- Guanoctine
- IUPAC
- 2-(2,4,4-trimethylpentan-2-yl)guanidine
- English name
- Guanoctine
- Molecular formula
- C9H21N3
- Molecular weight
- 171.28
Names & synonyms
Guanoctine3658-25-1Guanoctine [INN]guanoctinaA-7283 FREE BASEBP-1184 FREE BASEGuanidine, (1,1,3,3-tetramethylbutyl)-UNII-I108531358DTXSID7075002I108531358(1,1,3,3-TETRAMETHYLBUTYL)GUANIDINEguanoctinum
Show more names
1-(1,1,3,3-Tetramethylbutyl)guanidineGuanidine, N-(1,1,3,3-tetramethylbutyl)-
RefChem:144670DTXCID50391992-(2,4,4-trimethylpentan-2-yl)guanidinet-octylguanidineSCHEMBL5909699SCHEMBL5909702CHEMBL2111168AKOS011667548
Database identifiers
- CAS
3658-25-1- PubChem CID
- 14060
- DTXSID
DTXSID7075002- ChEMBL
CHEMBL2111168- UNII
- I108531358
- Nikkaji
- J239.350F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- FDA UNII
- 108531358 · I108531358
- EPA Substance Registry System
- Guanoctine (3658-25-1)
Chemistry & industry
Applications
UsesAntihypertensive.
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Related reactions
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Compound notes
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