4-(4,6-Dimethoxypyrimidin-2-yl)aniline
Basic information
- CAS
387350-86-9- Standard SMILES
COc1cc(OC)nc(-c2ccc(N)cc2)n1- InChIKey
QMGUXTLACGZGBE-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 4-(4,6-Dimethoxypyrimidin-2-yl)aniline
- IUPAC
- 4-(4,6-dimethoxypyrimidin-2-yl)aniline
- English name
- 4-(4,6-Dimethoxypyrimidin-2-yl)aniline
- Molecular formula
- C12H13N3O2
- Molecular weight
- 231.25
Names & synonyms
4-(4,6-Dimethoxypyrimidin-2-yl)aniline387350-86-9DTXSID40371206RefChem:287784DTXCID10322240814-025-7MFCD01319482HMS520P14Peakdale1_001048SCHEMBL1925657SBB097769AKOS015852138
Show more names
4-(4,6-Dimethoxypyrimidin-2-yl)aniline 95+%Benzenamine, 4-(4,6-dimethoxy-2-pyrimidinyl)-4-(4,6-DIMETHOXYPYRIMIDIN-2-YL)ANILINE ISO 9001：2015 REACH4-(4,6-Dimethoxy-1,3-diazin-2-yl)aniline, 2-(4-Aminophenyl)-4,6-dimethoxypyrimidine
PS-5986SB57918DB-0493234-(4,6-dimethoxypyrimidin-2-yl)phenylamineCS-0317909F023759SR-01000384872SR-01000384872-1
Database identifiers
- CAS
387350-86-9- PubChem CID
- 2736212
- DTXSID
DTXSID40371206- EC Number
- 814-025-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 103 · 103~105℃
- Boiling point
- 318 · 318.0±34.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 2.18 · 2.18±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 501 · P501-P273-P270-P264-P391-P301+P312+P330
- HS Code
- 2921420090 · 2921420090
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, P317, 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
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H411
- Precautionary statements
- P501-P273-P270-P264-P391-P301+P312+P330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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