N-(4-Aminobutyl)-N'-methylguanidine
Basic information
- CAS
77414-15-4- Standard SMILES
CN=C(N)NCCCCN- InChIKey
CEZLGLLDSAKBNX-UHFFFAOYSA-N- Molecular formula
- C6H16N4
- Average molar mass
- 144.22 g/mol
- Monoisotopic mass
- 144.13749653
Overview
N6-Methylagmatine is a member of guanidines.
Names & identifiers
- Preferred name
- N-(4-Aminobutyl)-N'-methylguanidine
- IUPAC
- 1-(4-aminobutyl)-2-methylguanidine
- English name
- N(G)-methylagmatine
- Molecular formula
- C6H16N4
- Molecular weight
- 144.22
Names & synonyms
N(G)-MethylagmatineN-omega-Methylagmatine77414-15-4N-(4-Aminobutyl)-N'-methylguanidineDTXSID30998628Guanidine, N-(4-aminobutyl)-N'-methyl-RefChem:926842DTXCID201425613N6-Methylagmatine1-(4-aminobutyl)-2-methylguanidineN-methylagmatine6-methylagmatine
Show more names
SCHEMBL21440948CHEBI:1807013-(4-aminobutyl)-1-methylguanidineN-(4-Aminobutyl)-N'-methyl-Guanidine
Database identifiers
- CAS
77414-15-4- PubChem CID
- 196509
- DTXSID
DTXSID30998628- ChEBI
CHEBI:180701
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.9
Physicochemical properties
- Boiling point
- 220.1 · 220.1±42.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 13.96 · 13.96±0.70(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: N6-Methylagmatine is a member of guanidines.
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Compound notes
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