Basic information
- CAS
18513-77-4- Standard SMILES
CCOC(=O)C1=CCCNC1.Cl- InChIKey
MIRJGPRWVWWNQH-UHFFFAOYSA-N- Molecular formula
- C8H14ClNO2
- Average molar mass
- 191.65 g/mol
- Monoisotopic mass
- 191.0713064
Names & identifiers
- Preferred name
- Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride
- IUPAC
- ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride
Names & synonyms
Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, ethyl ester, hydrochloride (1:1)RefChem:593186840-275-118513-77-4Ethyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, ethyl ester, hydrochlorideethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochlorideSCHEMBL7923304DTXSID90171718MIRJGPRWVWWNQH-UHFFFAOYSA-NFA74012
Show more names
G49105EN300-6736438Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate HCl1,2,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester hydrochlorideEthyl 1,2,5,6-tetrahydropyridine-3-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
18513-77-4- PubChem CID
- 205700
- DTXSID
DTXSID90171718- EC Number
- 840-275-1
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
4 records
Compound notes
Loading…