N-Ethylnicotinamide
Basic information
- CAS
4314-66-3- Standard SMILES
CCNC(=O)c1cccnc1- InChIKey
ZXOAHASJYIUCBG-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931294
Overview
metabolite of NIKETHAMIDE
Names & identifiers
- Preferred name
- N-Ethylnicotinamide
- IUPAC
- N-ethylpyridine-3-carboxamide
- English name
- N-Ethylnicotinamide
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
N-Ethylnicotinamide4314-66-33-Pyridinecarboxamide, N-ethyl-Nicotinamide, N-ethyl-Nicotinic acid monoethylamideN-Ethyl-3-pyridinecarboxamide1G18T31MNWNSC-62008DTXSID10195719RefChem:830004DTXCID00118210224-331-7
Show more names
n-ethyl-nicotinamidethylnicotinamide,98%N-Ethylnicotinamide>n-monoethylnicotinamideNicotinamide Impurity 8N-ETHYLNICOTINAMIDE 98+%nicotinicacidmonoethylamiden-ethyl-3-pyridinecarboxamid
N-ethylpyridine-3-carboxamideN-MonoethylnicotinamideMFCD00023579Nicotinic acid ethylamideEINECS 224-331-7NSC 62008BRN 0122945N-ethyl nicotinamide
Database identifiers
- CAS
4314-66-3- PubChem CID
- 78007
- DTXSID
DTXSID10195719- UNII
- 1G18T31MNW
- EC Number
- 224-331-7
- Nikkaji
- J68.271C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Nikethamide
SpringerMaterials PropertiesDensity
LogP0.31
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Boiling point
- 152 °C · 152 °C(Press: 12 Torr)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.98 · 13.98±0.46(Predicted)
- color
- White to Off-White
- FDA UNII
- 1 G18T31MNW · 1G18T31MNW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- RTECS
- 4471500 · QS4471500
- HS Code
- 2933399990 · 2933399990
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- rtecs
- QS4471500
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesN-Ethylnicotinamide is a derivative of Nicotinamide (N407750), which is a water-soluble vitamin and is part of the vitamin B group.
Related reactions
2 records
Compound notes
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