Basic information
- CAS
82985-31-7- Standard SMILES
c1ccc(C2CCCC2NC2=NCCCCCCCCCCC2)cc1- InChIKey
RTRIXVOSRYRSBP-UHFFFAOYSA-N- Molecular formula
- C23H36N2
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.28784916
Names & identifiers
- Preferred name
- N-(2-phenylcyclopentyl)-1-azacyclotridecen-2-amine
- IUPAC
- N-(2-phenylcyclopentyl)-1-azacyclotridecen-2-amine
- English name
- RMI 12330A
- Molecular formula
- C23H36N2
- Molecular weight
- 340.55
Names & synonyms
N-(2-phenylcyclopentyl)-1-azacyclotridecen-2-amineN-(2-Phenylcyclopentyl)-1-azacyclotridec-1-en-2-amineSCHEMBL896426SCHEMBL896430SCHEMBL7325926SCHEMBL9719194SCHEMBL28605101DTXSID301003048RMI 12330AAzacyclotridec-1-en-2-amine, N-[(1R,2R)-2-phenylcyclopentyl]-, rel-
Database identifiers
- CAS
82985-31-7- PubChem CID
- 4024
- DTXSID
DTXSID301003048
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 515 · 515.0±39.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 8.17 · 8.17±0.40(Predicted)
Chemistry & industry
Applications
DescriptionRMI-12330A is an adenyl cyclase inhibitor.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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