Basic information
- CAS
37531-52-5- Standard SMILES
CCN(CCNC(=O)c1ccccc1N)C12CC3CC(CC(C3)C1)C2.Cl- InChIKey
LLTXZLAWJUTOLF-UHFFFAOYSA-N- Molecular formula
- C21H32ClN3O
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.2233903
Names & identifiers
- Preferred name
- Benzamide, 2-amino-N-(2-(ethyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)-, monohydrochloride
- IUPAC
- N-[2-[1-adamantyl(ethyl)amino]ethyl]-2-aminobenzamide;hydrochloride
Names & synonyms
Benzamide, 2-amino-N-(2-(ethyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)-, monohydrochloride2-Amino-N-(2-(ethyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)benzamide hydrochloride37531-52-5DTXSID40190974RefChem:321374DTXCID80113465N-{2-[(Adamantan-1-yl)(ethyl)amino]ethyl}-2-aminobenzamide--hydrogen chloride (1/1)
Database identifiers
- CAS
37531-52-5- PubChem CID
- 216623
- DTXSID
DTXSID40190974
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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