N-Boc-2-maleimidoethylamine - CAS 134272-63-2

Catalog:	BB043186
Product Name:	N-Boc-2-maleimidoethylamine
CAS:	134272-63-2
Synonyms:	Tert-Butyl (2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)carbamate; N-(2-Boc-amino)ethyl Maleimide
Application:	It is used in the Mitsunobu reaction: a novel method for the synthesis of bifunctional maleimide linkers.

Technical Data

IUPAC Name:	tert-butyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
Description:	N-Boc-2-maleimidoethylamine (CAS# 134272-63-2) is used in the Mitsunobu reaction: a novel method for the synthesis of bifunctional maleimide linkers.
Molecular Weight:	240.25
Molecular Formula:	C11H16N2O4
Canonical SMILES:	CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O
InChI:	InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-6-7-13-8(14)4-5-9(13)15/h4-5H,6-7H2,1-3H3,(H,12,16)
InChI Key:	SNYRFQCLCLMCCG-UHFFFAOYSA-N
Purity:	95 %
Appearance:	White crystalline solid
Storage:	Powder, -20°C, 3 years; 4°C, 2 years; In solvent, -80°C, 6 months; -20°C, 1 month

Complexity:	350
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.111007
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.111007
Rotatable Bond Count:	5
Topological Polar Surface Area:	75.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2