Basic information
- CAS
651307-05-0- Standard SMILES
Cl.NCCCCCNc1cccc2cnccc12- InChIKey
VQBRTMMZNYRMDB-UHFFFAOYSA-N- Molecular formula
- C14H20ClN3
- Average molar mass
- 265.78 g/mol
- Monoisotopic mass
- 265.13457532
Names & identifiers
- Preferred name
- N-(5-Isoquinolyl)-pentamethylenediamine hydrochloride
- IUPAC
- N'-isoquinolin-5-ylpentane-1,5-diamine;hydrochloride
Names & synonyms
651307-05-0N-(5-Isoquinolyl)-pentamethylenediamine hydrochlorideSCHEMBL5661315DTXSID40621096VQBRTMMZNYRMDB-UHFFFAOYSA-NN-(5-isoquinolyl)pentamethylenediamine hydrochlorideN~1~-(Isoquinolin-5-yl)pentane-1,5-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
651307-05-0- PubChem CID
- 21979922
- DTXSID
DTXSID40621096
Properties
Computed structural properties
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 208
Related reactions
1 records
Compound notes
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