1-(4-Amidinobenzyl)indole
Basic information
- CAS
83783-25-9- Standard SMILES
N=C(N)c1ccc(Cn2ccc3ccccc32)cc1- InChIKey
VKEKMIKRPJWXHO-UHFFFAOYSA-N- Molecular formula
- C16H15N3
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.12659749
Names & identifiers
- Preferred name
- 1-(4-Amidinobenzyl)indole
- IUPAC
- 4-(indol-1-ylmethyl)benzenecarboximidamide
- English name
- 1-(4-amidinobenzyl)indole
- Molecular formula
- C16H15N3
- Molecular weight
- 249.31
Names & synonyms
1-(4-Amidinobenzyl)indole83783-25-94-ABIXTR8M295WNDTXSID50232637Benzenecarboximidamide, 4-(1H-indol-1-ylmethyl)-RefChem:907336DTXCID801551284-((1h-indol-1-yl)methyl)benzimidamide4-(indol-1-ylmethyl)benzenecarboximidamideCHEMBL1005694-[(1H-indol-1-yl)methyl]benzene-1-carboximidamide
Show more names
4-Indol-1-ylmethyl-benzamidine4-(1h-indol-1-ylmethyl)benzenecarboximidamideSCHEMBL31621047BDBM50027305PD182232
Database identifiers
- CAS
83783-25-9- PubChem CID
- 134348
- DTXSID
DTXSID50232637- ChEMBL
CHEMBL100569- UNII
- XTR8M295WN
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 456.1 · 456.1±55.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 12.08 · 12.08±0.50(Predicted)
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Related reactions
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Compound notes
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