Urea hydrochloride

CH₅ClN₂OCAS 506-89-896.51 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CH₅ClN₂O
Molar mass: 96.51 g/mol
Exact mass: 96.0090 Da
Density: 1.336–1.341 g/mL
Melting point: 145 °C (decomposes)
logP: -0.14Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 0

Hazards

Danger

H290 May be corrosive to metals47.6% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H314 Causes severe skin burns and eye damage38.1% of notifiers
H315 Causes skin irritation52.4% of notifiers
H318 Causes serious eye damage19% of notifiers
H319 Causes serious eye irritation42.9% of notifiers
H335 May cause respiratory irritation81% of notifiers

Aggregated from 21 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

506-89-8

SMILES

Cl.N=C(N)O

InChIKey

VYWQTJWGWLKBQA-UHFFFAOYSA-N

InChI

InChI=1S/CH4N2O.ClH/c2-1(3)4;/h(H4,2,3,4);1H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names

Urea, hydrochloride (1:1)
Urea, monohydrochloride
Carbamide chloride

Work with Urea hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Urea57-13-6Parent compound Hydrogen peroxide - urea124-43-6Salt Urea nitrate124-47-0Salt Urea phosphoric acid4861-19-2Salt Tetrakis(hydroxymethyl)phosphonium chloride-urea polymer27104-30-9Salt

Similar compounds

Urea-formaldehyde resin9011-05-657 % similar Guanidinium chloride50-01-142 % similar Amidinomalonamide hydrochloride34570-17-738 % similar Glycinamide hydrochloride1668-10-638 % similar Formaldehyde-isobutyraldehyde-urea copolymer28931-47-738 % similar Aminourea hydrochloride563-41-738 % similar Acediamine hydrochloride124-42-536 % similar 1,1′-Dithiodiformamidine hydrochloride14807-75-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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