Methyl 1-tritylaziridine-2-carboxylate - CAS 76357-18-1
Catalog: |
BB054099 |
Product Name: |
Methyl 1-tritylaziridine-2-carboxylate |
CAS: |
76357-18-1 |
Synonyms: |
Methyl 1-(Triphenylmethyl)-2-aziridinecarboxylate; 1-Tritylaziridine-2-carboxylic acid methyl ester; methyl (2R)-1-(triphenylmethyl)aziridine-2-carboxylate |
IUPAC Name: | methyl 1-tritylaziridine-2-carboxylate |
Molecular Weight: | 343.41 |
Molecular Formula: | C23H21NO2 |
Canonical SMILES: | COC(=O)C1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
InChI: | InChI=1S/C23H21NO2/c1-26-22(25)21-17-24(21)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3 |
InChI Key: | QGSITPKXYQEFIR-UHFFFAOYSA-N |
Boiling Point: | 430.3±45.0 °C at 760 mmHg |
Melting Point: | 132°C |
Purity: | >98.0%(N) |
Density: | 1.195±0.06 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.157228913 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.157228913 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 29.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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