N-(Diphenylmethylene)glycine methyl ester - CAS 81167-39-7
Catalog: |
BB053797 |
Product Name: |
N-(Diphenylmethylene)glycine methyl ester |
CAS: |
81167-39-7 |
Synonyms: |
N-(DIPHENYLMETHYLENE)GLYCINE METHYL ESTER; (Benzhydrylideneamino)acetic Acid Methyl Ester; Benzophenoneimine glycine Methyl Ester; Methyl 3-aza-4,4-diphenylbut-3-enoat; Methyl 3-aza-4,4-diphenylbut-3-enoate; Methyl N-(diphenylmethylene)glycinate; Diphenylmethy |
IUPAC Name: | methyl 2-(benzhydrylideneamino)acetate |
Molecular Weight: | 253.3 |
Molecular Formula: | C16H15NO2 |
Canonical SMILES: | COC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3 |
InChI Key: | PQTOLHHWLUCKSB-UHFFFAOYSA-N |
Boiling Point: | 342.8°C at 760 mmHg |
Melting Point: | 42-44°C |
Purity: | 95% |
Density: | 1.05g/cm3 |
Appearance: | Solid |
Storage: | Refrigerator, Under Inert Atmosphere |
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 (100%): 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: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.110278721 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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