Basic information
- CAS
6375-46-8- Standard SMILES
CCN(CC)c1cccc(NC(C)=O)c1- InChIKey
FPUKYOSOAAPHTN-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- Acetamide, N-[3-(diethylamino)phenyl]-
- IUPAC
- N-[3-(diethylamino)phenyl]acetamide
- English name
- 3-(N,N-Diethylamino)acetanilide
- Molecular formula
- C12H18N2O
- Molecular weight
- 206.28
Names & synonyms
N-[3-(Diethylamino)phenyl]acetamideAcetamide, N-[3-(diethylamino)phenyl]-N-(3-(Diethylamino)phenyl)acetamideEINECS 228-937-2Acetamide, N-(3-(diethylamino)phenyl)-DTXSID6064294Acetamide, N-(3-diethylaminophenyl)-RefChem:108831DTXCID3044099228-937-2FPUKYOSOAAPHTN-UHFFFAOYSA-N6375-46-8
Show more names
3-AcetoaMino-NN-diethyl aniline3-Diethylaminoacetanilid3-DIETHYLAMINO ACETANILIDE3'-(DIETHYLAMINO)ACETANILIDE3-N,N'-DIETHYLAMINOACETANILIDE2-acetamido-N,N-diethylaniline3-acetylamino-N,N-diethylaniline
3-(N,N-Diethylamino)acetanilide3-Acetoamino-N,N-diethyl anilineMFCD00035814N-[3-(diethylamino)phenyl]ethanamide3'-DiethylaminoacetanilideUISMaybridge1_004203Oprea1_249456
Database identifiers
- CAS
6375-46-8- PubChem CID
- 80778
- DTXSID
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 81 · 81-84 °C(lit.)
- Boiling point
- 385.6 · 385.6±25.0 °C(Predicted)
- Density
- 1.065 · 1.065±0.06 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- pka
- 14.82 · 14.82±0.70(Predicted)
- Water Solubility
- 700 mg/L · 700mg/L at 20℃
- InChI
- InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
- InChIKey
- FPUKYOSOAAPHTN-UHFFFAOYSA-N
- SMILES
- N(C1C=CC=C(C=1)NC(=O)C)(CC)CC
- LogP
- 2.26 at · 2.26 at 25℃
- CAS DataBase Reference
- 6375 · 6375-46-8(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Acetamide, N-[3-(diethylamino)phenyl]- (6375-46-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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]
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: N-[3-(diethylamino)phenyl]acetamide (EC: 228-937-2)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Inactive
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[3-(diethylamino)phenyl]-: ACTIVE
Applications
Uses3-(N,N-Diethylamino)acetanilide is used as a dye intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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