N,N-Diethylisonicotinamide
Basic information
- CAS
530-40-5- Standard SMILES
CCN(CC)C(=O)c1ccncc1- InChIKey
CDQAJSRQKGFYDY-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- N,N-Diethylisonicotinamide
- IUPAC
- N,N-diethylpyridine-4-carboxamide
- English name
- N,N-Diethylisonicotinamide
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
N,N-DiethylisonicotinamideIsonicotinic acid diethylamideN,N-Diethyl-4-pyridinecarboxamideUNII-P99ROW70YNP99ROW70YNNSC 165783BRN 0133559NSC-165783DTXSID702010475-22-02-00196 (Beilstein Handbook Reference)ISONICOTINIC ACID DIETHYLAMIDE [MI]PYRIDINE-4-CARBOXYLIC ACID DIETHYLAMIDE
Show more names
N,N-diethylisoamideAfatinib Impurity 169Nikethamide Impurity 8Diethylisonicotinamiden,n-diethyl-isonicotinamidisonicotinicaciddiethylamidenikethamide crude impurity EN,N-Diethylisonicotinamide >n,n-diethyl-4-pyridinecarboxamid
59158-43-9RefChem:161198DTXCID70123538CDQAJSRQKGFYDY-UHFFFAOYSA-NInChI=1/C10H14N2O/c1-3-12(4-2)10(13)9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H530-40-5N,N-diethylpyridine-4-carboxamide4-Pyridinecarboxamide, N,N-diethyl-
Database identifiers
- CAS
530-40-5- PubChem CID
- 10735
- DTXSID
DTXSID70201047- UNII
- P99ROW70YN
- EC Number
- 803-806-8
- Nikkaji
- J6.699K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 23 · 23-25 °C
- Boiling point
- 1 · bp1.0 119-120°
- Density
- 1.06 · 1.06
- refractive index
- 1.523 · 1.5230-1.5270
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 4.41 · 4.41±0.10(Predicted)
- color
- Colorless to Yellow to Orange
- Merck
- 14 · 14,5188
- FDA UNII
- 99 ROW70YN · P99ROW70YN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- rtecs
- NR9810000
- hs_code
- 2933399990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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