4-amino-N,N-diethylbenzamide
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Basic information
- CAS
51207-85-3- Standard SMILES
CCN(CC)C(=O)c1ccc(N)cc1- InChIKey
RNVOPVJRSRXPSX-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626313
Names & identifiers
- Preferred name
- 4-amino-N,N-diethylbenzamide
- IUPAC
- 4-amino-N,N-diethylbenzamide
- English name
- Benzamide, 4-amino-N,N-diethyl-
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
4-Amino-N,N-diethylbenzamide51207-85-3DTXSID10332566RefChem:518049DTXCID00283659828-684-3Benzamide, 4-amino-N,N-diethyl-N,N-Diethyl 4-aminobenzamideMFCD004614264-Amino-N,N-diethyl-benzamideA1ANC(4-aminophenyl)-N,N-diethylcarboxamide
Show more names
p-Amino-N,N-diethylbenzamideMLS001004526SCHEMBL3081053CHEMBL18966304-Amino-N,N-diethylbenzamide #HMS1754L06HMS2701D08ALBB-012592
Database identifiers
- CAS
51207-85-3- PubChem CID
- 458760
- DTXSID
DTXSID10332566- ChEMBL
CHEMBL1896630- EC Number
- 828-684-3
- Nikkaji
- J1.699.677G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 124 · 124-125 °C
- Boiling point
- 368.9 · 368.9±25.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.02 · 3.02±0.10(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2924297099 · 2924297099
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses4-Amino-N,N-diethylbenzamide is a reagent in the synthesis of proline-rich tyrosine kinase and focal adhesion kinase inhibition.
Related reactions
2 records
Compound notes
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