N,N-Diethylbenzamide

HCID 15542

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Basic information

CAS: 1696-17-9
Standard SMILES: CCN(CC)C(=O)c1ccccc1
InChIKey: JLNGEXDJAQASHD-UHFFFAOYSA-N
Molecular formula: C11H15NO
Average molar mass: 177.24 g/mol
Monoisotopic mass: 177.1153641

Overview

N,N-Diethylbenzamide is a member of benzamides.

Names & identifiers

Preferred name: N,N-Diethylbenzamide
IUPAC: N,N-diethylbenzamide
English name: N,N-Diethylbenzamide
Molecular formula: C11H15NO
Molecular weight: 177.24

Names & synonyms

N,N-DIETHYLBENZAMIDE1696-17-9RebemideDTXSID00517843Y74433ZXINSC-16060rebeftalRefChem:878999DTXCID9030339216-912-9Benzamide, N,N-diethyl-Rebemid

Show more names

r2SAR2R 2REP4F9RR2rrm2GR15KAI1

BenzoyldiethylamineBenzoic acid diethylamideR 2 (insect repellant)N,N-diethyl-benzamideBenzoic acid N,N-diethylamideR 2 (insect repellent)EINECS 216-912-9NSC 16060

Database identifiers

CAS: 1696-17-9
PubChem CID: 15542
DTXSID: DTXSID0051784
ChEBI: CHEBI:180965
UNII: 3Y74433ZXI
EC Number: 216-912-9
Nikkaji: J7.563I

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

LogP1.8

Physicochemical properties

Melting point: 38 · 38-40°C
Boiling point: 146 · 146-150°C 15mm
Density: 1.029 · 1.0290 (rough estimate)
refractive index: 1.524 to · 1.5240 to 1.5280
Flash point: 100 °C · >100°C
storage temp.: -20 °C · -20°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
pka: -1.14 · -1.14±0.70(Predicted)
form: clear liquid
color: White to Yellow to Green
BRN: 1909505 · 1909505
InChI: InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey: JLNGEXDJAQASHD-UHFFFAOYSA-N
SMILES: C(N(CC)CC)(=O)C1=CC=CC=C1
CAS DataBase Reference: 1696 · 1696-17-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 Y74433ZXI · 3Y74433ZXI
EPA Substance Registry System: Benzamide, N,N-diethyl- (1696-17-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RTECS: 4202000 · CV4202000
TSCA: TSCA listed
HS Code: 2924297099 · 2924297099
Toxicity: 50 oral · LD50 oral in rat: 2gm/kg

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.