Ethyl 3-amino-3-[3-(benzyloxy)phenyl]propanoate oxalate - CAS 502841-87-4
Catalog: |
BB065901 |
Product Name: |
Ethyl 3-amino-3-[3-(benzyloxy)phenyl]propanoate oxalate |
CAS: |
502841-87-4 |
Synonyms: |
ethyl 3-amino-3-[3-(benzyloxy)phenyl]propanoate oxalate; Ethyl 3-Amino-3-(3-(benzyloxy)phenyl)propanoate oxalate; ethyl 3-amino-3-(3-phenylmethoxyphenyl)propanoate; oxalic acid; Ethyl3-Amino-3-(3-(benzyloxy)phenyl)propanoateoxalate |
IUPAC Name: | ethyl 3-amino-3-(3-phenylmethoxyphenyl)propanoateoxalic acid |
Description: | Ethyl 3-amino-3-[3-(benzyloxy)phenyl]propanoate oxalate |
Molecular Weight: | 299.36 + (90.03) |
Molecular Formula: | C18H21NO3·C2H2O4 |
Canonical SMILES: | CCOC(=O)CC(C1=CC(=CC=C1)OCC2=CC=CC=C2)N.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C18H21NO3.C2H2O4/c1-2-21-18(20)12-17(19)15-9-6-10-16(11-15)22-13-14-7-4-3-5-8-143-1(4)2(5)6/h3-11,17H,2,12-13,19H2,1H3(H,3,4)(H,5,6) |
InChI Key: | GPNHAFCMAYMASK-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 389.14745207 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 389.14745207 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 136Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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