N-Benzyloxycarbonyl-3-O-benzyl Dopamine - CAS 106176-01-6
Catalog: |
BB073546 |
Product Name: |
N-Benzyloxycarbonyl-3-O-benzyl Dopamine |
CAS: |
106176-01-6 |
Synonyms: |
[2-[4-Hydroxy-3-(phenylmethoxy)phenyl]ethyl]carbamic Acid Phenylmethyl Ester |
IUPAC Name: | benzyl N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]carbamate |
Description: | N-Benzyloxycarbonyl-3-O-benzyl Dopamine is an intermediate in the synthesis of Dopamine (D533780) related metabolites. |
Molecular Weight: | 377.43 |
Molecular Formula: | C23H23NO4 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=C(C=CC(=C2)CCNC(=O)OCC3=CC=CC=C3)O |
InChI: | InChI=1S/C23H23NO4/c25-21-12-11-18(15-22(21)27-16-19-7-3-1-4-8-19)13-14-24-23(26)28-17-20-9-5-2-6-10-20/h1-12,15,25H,13-14,16-17H2,(H,24,26) |
InChI Key: | SXDMURCMABRMMA-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | White Solid |
References: | Santangelo, F., et al. Synth. Commun., 26, 2863 (1996). |
Complexity: | 446 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 377.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 377.16270821 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 67.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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