Basic information
- CAS
124190-30-3- Standard SMILES
NC(=NC12CC3CC(CC(C3)C1)C2)Nc1ccccc1I- InChIKey
UPFHEVQMWVMOST-UHFFFAOYSA-N- Molecular formula
- C17H22IN3
- Average molar mass
- 395.28 g/mol
- Monoisotopic mass
- 395.08585
Names & identifiers
- Preferred name
- N-Adamanty-1-yl-N'-(2-iodophenyl)guanidine
- IUPAC
- 2-(1-adamantyl)-1-(2-iodophenyl)guanidine
- English name
- N-adamanty-1-yl-N'-(2-iodophenyl)guanidine
- Molecular formula
- C17H22IN3
- Molecular weight
- 395.28115
Names & synonyms
AYIPGN-Adamanty-1-yl-N'-(2-iodophenyl)guanidine124190-30-3DTXSID20154236RefChem:162833DTXCID3076727CHEMBL55970CHEMBL553896N-Adamant-1-yl-N'-(2-iodophenyl)guanidiniumSCHEMBL6158255SCHEMBL6158260SCHEMBL6720262
Show more names
BDBM50006991BDBM50010759N-Adamantan-1-yl-N''-(2-iodo-phenyl)-guanidineN''-(ADAMANTAN-1-YL)-N-(2-IODOPHENYL)GUANIDINEN-Adamantan-1-yl-N''-(2-iodo-phenyl)-guanidine; hydrochlorideGuanidine, N-(2-iodophenyl)-N'-tricyclo(3.3.1(13,7))dec-1-yl-
Database identifiers
- CAS
124190-30-3- PubChem CID
- 64600
- DTXSID
DTXSID20154236- ChEMBL
CHEMBL553896、CHEMBL55970- Nikkaji
- J345.574B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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