N-(Carbobenzyloxy)dopamine - CAS 37034-22-3
Catalog: |
BB070600 |
Product Name: |
N-(Carbobenzyloxy)dopamine |
CAS: |
37034-22-3 |
Synonyms: |
N-Carbobenzoxydopamine; N-[2-(3,4-Dihydroxyphenyl)ethyl]carbamic acid benzyl ester; N-(Benzyloxycarbonyl)dopamine; [2-(3,4-Dihydroxyphenyl)ethyl]carbamic Acid Phenylmethyl Ester; (3,4-Dihydroxyphenethyl)carbamic Acid Benzyl Ester; N-[2-(3,4-dihydroxyphenyl)ethyl]carbamic Acid Phenylmethyl Ester |
IUPAC Name: | benzyl N-[2-(3,4-dihydroxyphenyl)ethyl]carbamate |
Description: | N-(Carbobenzyloxy)dopamine is an intermediate in the synthesis of Dopamine (D533780) related metabolites. |
Molecular Weight: | 287.31 |
Molecular Formula: | C16H17NO4 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NCCC2=CC(=C(C=C2)O)O |
InChI: | InChI=1S/C16H17NO4/c18-14-7-6-12(10-15(14)19)8-9-17-16(20)21-11-13-4-2-1-3-5-13/h1-7,10,18-19H,8-9,11H2,(H,17,20) |
InChI Key: | XEVWDUMEFJXJOU-UHFFFAOYSA-N |
Solubility: | DCM, Ether |
Appearance: | Pale Yellow Solid |
References: | Santangelo, F., et al. Synth. Commun., 26, 2863 (1996). |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.11575802 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 78.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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