2-(3-Methyl-1,2,4-oxadiazol-5-yl)aniline - CAS 76629-36-2
Catalog: |
BB035640 |
Product Name: |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)aniline |
CAS: |
76629-36-2 |
Synonyms: |
2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline |
IUPAC Name: | 2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline |
Description: | 2-(3-Methyl-1,2,4-oxadiazol-5-yl)aniline (CAS# 76629-36-2) is a useful research chemical. |
Molecular Weight: | 175.19 |
Molecular Formula: | C9H9N3O |
Canonical SMILES: | CC1=NOC(=N1)C2=CC=CC=C2N |
InChI: | InChI=1S/C9H9N3O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3 |
InChI Key: | PENHPXCQTHIVKF-UHFFFAOYSA-N |
Boiling Point: | 351.309 ℃ at 760 mmHg |
Density: | 1.229 g/cm3 |
MDL: | MFCD09971309 |
LogP: | 2.20840 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2222647-A1 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and c-met inhibitors | 20061023 |
EP-2222647-B1 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and c-met inhibitors | 20061023 |
EP-2684874-A1 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors | 20061023 |
EP-2684874-B1 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors | 20061023 |
ES-2555803-T3 | Fusion of bicyclic 2,4-diaminopyrimidine derivatives as using ALK and c-Met inhibitors | 20061023 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.074561919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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