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

Technical Data

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:	78.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2