1,2,3,4,5,6-Hexahydro-2-benzazocine
Completing data — refresh the page later to see the latest
Basic information
- CAS
7124-94-9- Standard SMILES
c1ccc2c(c1)CCCCNC2- InChIKey
QLEFVMRRZCGFFA-UHFFFAOYSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Names & identifiers
- Preferred name
- 1,2,3,4,5,6-Hexahydro-2-benzazocine
- IUPAC
- 1,2,3,4,5,6-hexahydro-2-benzazocine
- English name
- 1,2,3,4,5,6-Hexahydro-benzo[c]azocine
- Molecular formula
- C11H15N
- Molecular weight
- 161.24
Names & synonyms
1,2,3,4,5,6-hexahydro-2-benzazocine7124-94-91,2,3,4,5,6-Hexahydro-benzo[c]azocine1,2,3,4,5,6-Hexahydrobenzo[c]azocineCHEMBL1169452-Benzazocine, 1,2,3,4,5,6-hexahydro-8H8W6577DV1,2,3,4,5,6-Hexahydro-benz(C)azocineUNII-8H8W6577DVSCHEMBL1001440SCHEMBL4503618SCHEMBL8083543
Show more names
SCHEMBL10320499SCHEMBL10320500SCHEMBL10321512HAA12494BDBM50052889EBC-062851,2,3,4,5,6-Hexahydro-3-benzazocinPD179121
Database identifiers
- CAS
7124-94-9- PubChem CID
- 13698159
- ChEMBL
CHEMBL116945- UNII
- 8H8W6577DV
- Nikkaji
- J775.073K
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- FDA UNII
- 8 H8W6577DV · 8H8W6577DV
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…