Ethyl 2-(aminomethyl)nicotinate hydrochloride
Product Specifications
- CAS
- 697739-11-0
- Molecular Formula
- C9H13ClN2O2
- Appearance
- pale-yellow to off-white solid
- Synonym(s)
- ethyl 2-(aminomethyl)-3-pyridinecarboxylate hydrochloride; Ethyl2-(aminomethyl)nicotinatehydrochloride; Ethyl 2-(aminomethyl)nicotinate HCL
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- CCOC(=O)C1=C(N=CC=C1)CN.Cl
- InChI
- InChI=1S/C9H12N2O2.ClH/c1-2-13-9(12)7-4-3-5-11-8(7)6-10;/h3-5H,2,6,10H2,1H3;1H
Product Information
Ethyl 2-(aminomethyl)nicotinate hydrochloride corresponds to CAS 697739-11-0 and molecular formula C9H13ClN2O2. PubChem resolves the registry number to one entry, CID 86280247, with molecular weight 216.66. The verified representation is SMILES CCOC(=O)C1=C(N=CC=C1)CN.Cl, and the associated InChIKey is FUCIAZKOKQBGQL-UHFFFAOYSA-N.
The organic portion contains a pyridine ring bearing an ethyl carboxylate and an aminomethyl substituent at the locants stated in the name. Its ester contributes two oxygens, while the ring nitrogen and aminomethyl nitrogen account for N2. The dot before Cl in the verified SMILES marks a disconnected chloride component, consistent with the explicit hydrochloride form and the chlorine in C9H13ClN2O2. That distinction prevents the salt record from being conflated with the corresponding neutral organic component or with a covalent chloro derivative.
For a salt-specific inquiry to Rlavie, provide the full name including “hydrochloride,” CAS 697739-11-0, and the requested quantity. Attach a MOL or SDF structure file that retains the organic component and chloride so it can be compared with PubChem CID 86280247, the stated SMILES, and InChIKey FUCIAZKOKQBGQL-UHFFFAOYSA-N. The review should confirm the aminomethyl attachment, ethyl ester, and salt form before request-specific information is discussed. Omitting “hydrochloride” or the disconnected chloride from the submitted graph would describe a different identity boundary than this record.