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

Technical Data

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:	67.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5