5-(1,3-Benzoxazol-2-yl)-2-methylaniline - CAS 292644-38-3
Catalog: |
BB048488 |
Product Name: |
5-(1,3-Benzoxazol-2-yl)-2-methylaniline |
CAS: |
292644-38-3 |
Synonyms: |
5-Benzooxazol-2-yl-2-methyl-phenylamine; 5-(Benzo[d]oxazol-2-yl)-2-methylaniline; 5-(benzo[d]oxazol-2-yl)-2-methylbenzenamine; 5-(2-Benzoxazolyl)-2-methylbenzenamine |
IUPAC Name: | 5-(1,3-benzoxazol-2-yl)-2-methylaniline |
Description: | 5-(1,3-Benzoxazol-2-yl)-2-methylaniline (CAS# 292644-38-3 ) is a useful research chemical. |
Molecular Weight: | 224.26 |
Molecular Formula: | C14H12N2O |
Canonical SMILES: | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N |
InChI: | InChI=1S/C14H12N2O/c1-9-6-7-10(8-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3 |
InChI Key: | KXXDLQRHCXWKCH-UHFFFAOYSA-N |
Boiling Point: | 379.6±35.0 °C at 760 mmHg |
Purity: | ≥ 95 % by HPLC |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.094963011 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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Related Functional Groups
Amines and Anilines
Benzoxazole/Benzothiazole
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