1-Isopropylurea - CAS 691-60-1

Catalog:	BB033716
Product Name:	1-Isopropylurea
CAS:	691-60-1
Synonyms:	propan-2-ylurea; propan-2-ylurea

Technical Data

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Computed Properties

IUPAC Name:	propan-2-ylurea
Description:	1-Isopropylurea (CAS# 691-60-1) is a useful research chemical.
Molecular Weight:	102.14
Molecular Formula:	C4H10N2O
Canonical SMILES:	CC(C)NC(=O)N
InChI:	InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
InChI Key:	LZMATGARSSLFMQ-UHFFFAOYSA-N
Boiling Point:	149.3 °C at 760 mmHg
Density:	0.976 g/cm³
LogP:	1.15430

Publication Number	Title	Priority Date
CN-113184875-A	Preparation method of all-silicon type short b-axis ZSM-5 zeolite molecular sieve	20210609
CN-112108117-A	Preparation method and testing device for simultaneously removing multiple radioactive metal carbon-based composite materials	20200921
CN-111999359-A	Graphene-based transparent conductive film electrode and preparation method and application thereof	20200901
CN-111999360-A	Graphene-based non-enzymatic glucose sensor and preparation method and application thereof	20200901
CN-111704620-A	High-optical-purity [3, 2' ] -pyrrolidine chiral spiro-oxoindole skeleton compound, and preparation method and application thereof	20200724

PMID	Publication Date	Title	Journal
17608466	20070726	Synthesis and biological evaluation of N-pyrazolyl-N'-alkyl/benzyl/phenylureas: a new class of potent inhibitors of interleukin 8-induced neutrophil chemotaxis	Journal of medicinal chemistry
16838954	20050210	Conformational analysis and rotational barriers of alkyl- and phenyl-substituted urea derivatives	The journal of physical chemistry. A

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	70.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.079312947
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	102.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2