Basic information
- CAS
387350-84-7- Standard SMILES
COc1cc(OC)nc(-c2cccc(N)c2)n1- InChIKey
YCGDDKMRPBCYRW-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 3-(4,6-Dimethoxypyrimidin-2-yl)aniline
- IUPAC
- 3-(4,6-dimethoxypyrimidin-2-yl)aniline
- English name
- 3-(4,6-DIMETHOXYPYRIMIDIN-2-YL)ANILINE
- Molecular formula
- C12H13N3O2
- Molecular weight
- 231.25
Names & synonyms
3-(4,6-Dimethoxypyrimidin-2-yl)aniline387350-84-7DTXSID80371205RefChem:274296DTXCID00322239814-026-2MFCD01319521HMS521G03Peakdale1_001191SBB097766AKOS015852110PS-5435
Show more names
3-(4,6-Dimethoxypyrimidin-2-yl)aniline 95+%Benzenamine, 3-(4,6-dimethoxy-2-pyrimidinyl)-2-(3-Aminophenyl)-4,6-dimethoxypyrimidine, 2-(3-Aminophenyl)-4,6-dimethoxy-1,3-diazine
SB57903DB-0493223-(4,6-dimethoxypyrimidin-2-yl)phenylamineCS-0314824F023760
Database identifiers
- CAS
387350-84-7- PubChem CID
- 2736211
- DTXSID
DTXSID80371205- EC Number
- 814-026-2
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
- 228
Physicochemical properties
- Melting point
- 100 · 100~101℃
- Boiling point
- 329.2 · 329.2±34.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 3.25 · 3.25±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H335-H315-H319-H312-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- 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
- Hazard statements
- H332-H335-H315-H319-H312-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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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