1-(2-Aminoethyl)urea - CAS 2035-78-1

Catalog:	BB015832
Product Name:	1-(2-Aminoethyl)urea
CAS:	2035-78-1
Synonyms:	2-aminoethylurea; 2-aminoethylurea

Technical Data

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Computed Properties

IUPAC Name:	2-aminoethylurea
Description:	1-(2-Aminoethyl)urea (CAS# 2035-78-1) is used in the preparation of biphenyl pyrazines as PD-1/PD-L1 inhibitors for treating cancer.
Molecular Weight:	103.12
Molecular Formula:	C3H9N3O
Canonical SMILES:	C(CNC(=O)N)N
InChI:	InChI=1S/C3H9N3O/c4-1-2-6-3(5)7/h1-2,4H2,(H3,5,6,7)
InChI Key:	ZULYWHOJRVBUJU-UHFFFAOYSA-N
LogP:	0.21840

Publication Number	Title	Priority Date
WO-2021146599-A1	Composite materials and embolization methods	20200116
US-2020230249-A1	Peptide-oligourea hybrid compounds	20190118
WO-2020148317-A1	Peptide-oligourea hybrid compounds	20190118
WO-2020086629-A1	Complexes and ligands	20181022
EP-3870044-A1	Complexes and ligands	20181022

PMID	Publication Date	Title	Journal
19728728	20091008	Structure-affinity relationships of glutamine mimics incorporated into phosphopeptides targeted to the SH2 domain of signal transducer and activator of transcription 3	Journal of medicinal chemistry

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Carbonyl Compounds

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Complexity:	63.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.074561919
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	103.074561919
Rotatable Bond Count:	2
Topological Polar Surface Area:	81.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2