3-Pyridinecarboxylic acid, 5-bromo-, 2-(methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl ester, monohydrochloride
Basic information
- CAS
126999-37-9- Standard SMILES
CN(CCOC(=O)c1cncc(Br)c1)C12CC3CC(CC(C3)C1)C2.Cl- InChIKey
NFMMYTRGFGSEJU-UHFFFAOYSA-N- Molecular formula
- C19H26BrClN2O2
- Average molar mass
- 429.8 g/mol
- Monoisotopic mass
- 428.08662
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 5-bromo-, 2-(methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl ester, monohydrochloride
- IUPAC
- 2-[1-adamantyl(methyl)amino]ethyl 5-bromopyridine-3-carboxylate;hydrochloride
Names & synonyms
5-Bromonicotinic acid, beta-(N-methyl-N-(adamant-1-yl)amino)ethyl ester hydrochloride126999-37-93-Pyridinecarboxylic acid, 5-bromo-, 2-(methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl ester, monohydrochlorideDTXSID10155358RefChem:282291DTXCID60778492-[(Adamantan-1-yl)(methyl)amino]ethyl 5-bromopyridine-3-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
126999-37-9- PubChem CID
- 64614
- DTXSID
DTXSID10155358
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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