Basic information
- CAS
53387-65-8- Standard SMILES
Cl.c1coc(CNC2=NCCCCC2)c1- InChIKey
CWISOIQJSANZMD-UHFFFAOYSA-N- Molecular formula
- C11H17ClN2O
- Average molar mass
- 228.72 g/mol
- Monoisotopic mass
- 228.1029409
Names & identifiers
- Preferred name
- Agn-PC-0niclx
- IUPAC
- N-(furan-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
Names & synonyms
53387-65-8AGN-PC-0NICLXCHEMBL3274960DTXSID00484003NSC282148NSC-282148DS-0132952H-azepin-7-amine,n-(2-furanylmethyl)-3,4,5,6-tetrahydro-, hydrochlorideN-[(Furan-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
53387-65-8- PubChem CID
- 12280902
- DTXSID
DTXSID00484003- ChEMBL
CHEMBL3274960
Properties
Computed structural properties
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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