N-Allylurea - CAS 557-11-9

Catalog:	BB029148
Product Name:	N-Allylurea
CAS:	557-11-9
Synonyms:	prop-2-enylurea

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Computed Properties

IUPAC Name:	prop-2-enylurea
Description:	N-Allylurea (CAS# 557-11-9 ) is a useful research chemical.
Molecular Weight:	100.12
Molecular Formula:	C4H8N2O
Canonical SMILES:	C=CCNC(=O)N
InChI:	InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChI Key:	VPJDULFXCAQHRC-UHFFFAOYSA-N
Boiling Point:	167.9 ℃ at 760 mmHg
Melting Point:	162 to 165 °F
Purity:	97 %
Density:	1.008 g/cm³
Solubility:	greater than or equal to 100 mg/mL at 67.1 °F
Appearance:	Cream colored powder.
MDL:	MFCD00007954
LogP:	0.93190

Publication Number	Title	Priority Date
CN-113097565-A	Ionic liquid-like electrolyte for aluminum secondary battery and preparation method thereof	20210329
CN-112535721-A	Cold compress patch and preparation method thereof	20201126
JP-2021006485-A	Post-processing device, control method of post-processing device	20201001
CN-111622000-A	Chlorine-resistant color fixing agent for cotton and preparation method thereof	20200613
CN-113495316-A	Polarizing plate and image display device using the same	20200401

PMID	Publication Date	Title	Journal
21928793	20111010	Ureido-derivatized polymers based on both poly(allylurea) and poly(L-citrulline) exhibit UCST-type phase transition behavior under physiologically relevant conditions	Biomacromolecules
21546882	20110505	Synthesis of homoveratric acid-imprinted polymers and their evaluation as selective separation materials	Molecules (Basel, Switzerland)
21166427	20110121	Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines)	Organic letters
21062018	20101203	Sequential double α-arylation of N-allylureas by asymmetric deprotonation and N→C aryl migration	Organic letters
18221745	20080222	Synthesis of caffeic acid and p-hydroxybenzoic acid molecularly imprinted polymers and their application for the selective extraction of polyphenols from olive mill waste waters	Journal of chromatography. A

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	79.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.063662883
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	100.063662883
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4