Basic information
- CAS
55749-90-1- Standard SMILES
Cc1cc(C)nc(Oc2ccc(N)cc2)n1- InChIKey
TWQPYTHNDVDCLI-UHFFFAOYSA-N- Molecular formula
- C12H13N3O
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.10586204
Names & identifiers
- Preferred name
- 4-((4,6-Dimethylpyrimidin-2-yl)oxy)aniline
- IUPAC
- 4-(4,6-dimethylpyrimidin-2-yl)oxyaniline
- English name
- 4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)OXY]ANILINE
- Molecular formula
- C12H13N3O
- Molecular weight
- 215.25
Names & synonyms
55749-90-14-[(4,6-Dimethylpyrimidin-2-yl)oxy]aniline4-((4,6-DIMETHYLPYRIMIDIN-2-YL)OXY)ANILINEDTXSID10354228RefChem:286380DTXCID00305289813-423-84-(4,6-dimethylpyrimidin-2-yl)oxyanilineMFCD01895360SCHEMBL10678175TWQPYTHNDVDCLI-UHFFFAOYSA-NSBB095120
Show more names
SALOR-INT L118877-1EA4-((4,6-DIMETHYL-2-PYRIMIDINYL)OXY)PHENYLAMINE4-[(4,6-Dimethyl-2-pyrimidinyl)oxy]benzenamine4-[(4,6-Dimethylpyrimidin-2-yl)oxy]aniline 95+%Benzenamine, 4-[(4,6-dimethyl-2-pyrimidinyl)oxy]-
AKOS002674925SB59368AS-388422-(4-amino-phenoxy)-4,6-dimethylpyrimidineCS-03229234-(4,6-dimethylpyrimidin-2-yloxy)phenylamine4-[(4,6-dimethyl-2-pyrimidinyl)oxy]anilineAG-690/13704346
Database identifiers
- CAS
55749-90-1- PubChem CID
- 767037
- DTXSID
DTXSID10354228- EC Number
- 813-423-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-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
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2921490090 · 2921490090
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H315-H319-H332-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
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
2 records
Compound notes
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