5-Amino-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide
Basic information
- CAS
41616-02-8- Standard SMILES
CNC(=O)c1cc(N)cc(C(=O)NC)c1- InChIKey
OUAGKUUKYRRPLE-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.10077667
Names & identifiers
- Preferred name
- 5-Amino-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide
- IUPAC
- 5-amino-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
- English name
- 5-amino-N,N'-dimethylisophthalamide(SALTDATA: FREE)
- Molecular formula
- C10H13N3O2
- Molecular weight
- 207.23
Names & synonyms
41616-02-8DTXSID906292445-Amino-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamideRefChem:301074DTXCID905799975-AMINO-N,N'-DIMETHYLISOPHTHALAMIDE5-Amino-N1,N3-dimethylisophthalamideMFCD115053165-AMINO-N1,N3-DIMETHYLBENZENE-1,3-DICARBOXAMIDE5-amino-1-N,3-N-dimethylbenzene-1,3-dicarboxamide5-amino-N,N'-dimethylbenzene-1,3-dicarboxamideSCHEMBL8403576
Show more names
5-amino-N,N-dimethylisophthalamide1,3-Benzenedicarboxamide, 5-amino-N1,N3-dimethyl-5-amino-N,N'-dimethylisophthalamide(SALTDATA: FREE)
RBA61602STL1823465-Amino-N,N''-dimethylisophthalamideAKOS000283197BS-37890DB-272995CS-0260346EN300-7494474
Database identifiers
- CAS
41616-02-8- PubChem CID
- 22967232
- DTXSID
DTXSID90629244- EC Number
- 977-721-0
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 438.7 · 438.7±40.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- pka
- 14.59 · 14.59±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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