Basic information
- CAS
387350-50-7- Standard SMILES
Cc1cc(C)nc(N(C)c2ccc(C(=O)O)cc2)n1- InChIKey
CWDJNWNZJJKIBB-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.11642673
Names & identifiers
- Preferred name
- 4-((4,6-Dimethylpyrimidin-2-yl)(methyl)amino)benzoic acid
- IUPAC
- 4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]benzoic acid
- English name
- 4-[(4,6-Dimethylpyrimidin-2-yl)(methyl)amino]benzoicacid
- Molecular formula
- C14H15N3O2
- Molecular weight
- 257.29
Names & synonyms
387350-50-74-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]benzoic acid4-((4,6-Dimethylpyrimidin-2-yl)(methyl)amino)benzoic acidDTXSID00371262RefChem:286378DTXCID20322296812-887-94-[(4,6-dimethylpyrimidin-2-yl)-methylamino]benzoic acidMFCD00203268Peakdale1_000489HMS519G05SCHEMBL2423178
Show more names
4-[(4,6-Dimethylpyrimidin-2-yl)(methyl)amino]benzoic acid 95+%4-[(4,6-Dimethyl-1,3-diazin-2-yl)(methyl)amino]benzoic acid, 2-[(4-Carboxyphenyl)(methyl)amino]-4,6-dimethylpyrimidine
SBB101873AKOS015842628PS-7391SB57898DA-21831ST110436CS-0316030F023728
Database identifiers
- CAS
387350-50-7- PubChem CID
- 2736306
- DTXSID
DTXSID00371262- EC Number
- 812-887-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 172 · 172~174℃
- Boiling point
- 477.4 · 477.4±47.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 3.89 · 3.89±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- HS Code
- 2922498590 · 2922498590
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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