4-(2-Cyclopropyl-1,3-oxazol-5-yl)aniline - CAS 1031130-92-3
Catalog: |
BB073089 |
Product Name: |
4-(2-Cyclopropyl-1,3-oxazol-5-yl)aniline |
CAS: |
1031130-92-3 |
Synonyms: |
4-(2-cyclopropyl-1,3-oxazol-5-yl)aniline; 4-(2-Cyclopropyloxazol-5-yl)aniline |
IUPAC Name: | 4-(2-cyclopropyl-1,3-oxazol-5-yl)aniline |
Molecular Weight: | 200.23 |
Molecular Formula: | C12H12N2O |
Canonical SMILES: | C1CC1C2=NC=C(O2)C3=CC=C(C=C3)N |
InChI: | InChI=1S/C12H12N2O/c13-10-5-3-8(4-6-10)11-7-14-12(15-11)9-1-2-9/h3-7,9H,1-2,13H2 |
InChI Key: | YUTWYOJPIUVEKL-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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