N-Ethylbenzamide
Basic information
- CAS
614-17-5- Standard SMILES
CCNC(=O)c1ccccc1- InChIKey
SDIDYFBTIZOPLA-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Ethylbenzamide
- IUPAC
- N-ethylbenzamide
- English name
- N-Ethylbenzamide
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
N-Ethylbenzamide614-17-5BENZAMIDE, N-ETHYL-SW509B0V2ANSC-20558DTXSID10210315RefChem:829985DTXCID10132806664-988-0N-ethyl-benzamideMFCD00026702NSC 20558
Show more names
N-Ethylbenamiden-ethyl-benzamidLABOTEST-BB LT00790839Benzamide, N-ethyl- (6CI,7CI,8CI,9CI)
BRN 2043576AI3-01070NSC20558N-Ethyl-benzamide (10)WLN: 2MVRUNII-SW509B0V2ASCHEMBL97054SCHEMBL158021
Database identifiers
- CAS
614-17-5- PubChem CID
- 11959
- DTXSID
DTXSID10210315- ChEMBL
CHEMBL500597- UNII
- SW509B0V2A
- EC Number
- 664-988-0
- Nikkaji
- J54.488D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP1.28
Physicochemical properties
- Melting point
- 70.5 °C · 70.5°C
- Boiling point
- 317 ℃ · 317℃
- Density
- 1.019 · 1.019
- refractive index
- 1.5279 · 1.5279 (estimate)
- Flash point
- 184 ℃ · 184℃
- pka
- 15.01 · 15.01±0.46(Predicted)
- InChI
- InChI=1S/C9H11NO/c1-2-10-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
- InChIKey
- SDIDYFBTIZOPLA-UHFFFAOYSA-N
- SMILES
- C(NCC)(=O)C1=CC=CC=C1
- FDA UNII
- 509 B0V2A · SW509B0V2A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- CV4920000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
16 records
Compound notes
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