5-Amino-3-phenylisoxazole - CAS 4369-55-5
Catalog: |
BB025448 |
Product Name: |
5-Amino-3-phenylisoxazole |
CAS: |
4369-55-5 |
Synonyms: |
3-phenyl-1,2-oxazol-5-amine |
IUPAC Name: | 3-phenyl-1,2-oxazol-5-amine |
Description: | 5-Amino-3-phenylisoxazole (CAS# 4369-55-5) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C9H8N2O |
Canonical SMILES: | C1=CC=C(C=C1)C2=NOC(=C2)N |
InChI: | InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2 |
InChI Key: | HLOHVVZZMMMDMM-UHFFFAOYSA-N |
Boiling Point: | 379.3 °C at 760 mmHg |
Density: | 1.204 g/cm3 |
MDL: | MFCD00464114 |
LogP: | 2.50500 |
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 |
WO-2021183439-A1 | Substituted furo[3,2-d]pyrimidines and uses thereof | 20200309 |
US-2020361863-A1 | Method of synthesizing alpha-amino acid derivatives | 20190513 |
WO-2020094673-A1 | Reagents and process for direct c-h functionalization | 20181106 |
EP-3856734-A1 | Reagents and process for direct c-h functionalization | 20181106 |
CN-109535153-B | Benzisothiazolinone isoxazole acetamide derivative and synthetic method and application thereof | 20181010 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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