Basic information
- CAS
284462-37-9- Standard SMILES
CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1- InChIKey
RXZZBPYPZLAEFC-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077666
Names & identifiers
- Preferred name
- 4-(4-Aminophenoxy)-N-methylpicolinamide
- IUPAC
- 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
- English name
- 4-(4-Aminophenoxy)-N-methylpicolinamide
- Molecular formula
- C13H13N3O2
- Molecular weight
- 243.26
Names & synonyms
284462-37-94-(4-Aminophenoxy)-N-methylpicolinamide4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide2-Pyridinecarboxamide, 4-(4-aminophenoxy)-N-methyl-RE332HKD3UDTXSID10586507EC 608-211-5RefChem:198577DTXCID70537272608-211-5[4-(4-Aminophenoxy)(2-pyridyl)]-N-methylcarboxamide
Show more names
SorafenSorafenib Aminophenoxy ImpuritySL-M2Sorafenib INT2Sorafenib impurity ASorafenib IntermediateSorafenib tosylate INT IIISorafenib Related Compound 23
1178134-86-54-(4-amino-phenoxy)-pyridine-2-carboxylic acid methylamideMFCD08692047Sorafenib Tosylate Impurity AAKOS0051749354-(4-amino-phenoxy)-pyridine-2-carboxylicacidmethylamideEN300-1469044-(2-(N-methylcarbarnoyl)-4-pyridyloxy)aniline
Database identifiers
- CAS
284462-37-9
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 110 · 110-112°C
- Boiling point
- 476.8 · 476.8±40.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- vapor pressure
- 0.001 · 0.001-0.05Pa at 20-109.84℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 13.96 · 13.96±0.46(Predicted)
- form
- solid
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)
- InChIKey
- RXZZBPYPZLAEFC-UHFFFAOYSA-N
- SMILES
- C1(C(NC)=O)=NC=CC(OC2=CC=C(N)C=C2)=C1
- LogP
- 0.9 at · 0.9 at 25℃ and pH7
- Surface tension
- 71.71 mN/m · 71.71mN/m at 883.8mg/L and 20.1℃
- FDA UNII
- 332 HKD3U · RE332HKD3U
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 12-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/8171
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- wgk
- WGK 2
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesSorafenib intermediate
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
99 records
Compound notes
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