Aminourea hydrochloride

CH₆ClN₃OCAS 563-41-7111.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CH₆ClN₃O
Molar mass: 111.53 g/mol
Exact mass: 111.0199 Da
Melting point: 175–185 °C
pKa: 10.8
Water solubility: very soluble
logP: -0.64Crippen estimate
Polar surface area: 82.1 Å²
H-bond donors / acceptors: 4 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed96.8% of notifiers
H315 Causes skin irritation36.6% of notifiers
H318 Causes serious eye damage16.1% of notifiers
H319 Causes serious eye irritation36.6% of notifiers
H361 Suspected of damaging fertility or the unborn child16.1% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure16.1% of notifiers

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

563-41-7

SMILES

Cl.N=C(O)NN

InChIKey

XHQYBDSXTDXSHY-UHFFFAOYSA-N

InChI

InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H

Weigh it out

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

Names and synonyms

6 names

Hydrazinecarboxamide, hydrochloride (1:1)
Semicarbazide, monohydrochloride
Hydrazinecarboxamide, monohydrochloride
Semicarbazide hydrochloride
Hydrazinecarboxamide, hydrochloride
Semicarbazide chloride

Work with Aminourea 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.

Semicarbazide57-56-7Free base Semicarbazide sulfate101366-35-2Salt

Similar compounds

1,3-Diaminoguanidine monohydrochloride36062-19-850 % similar Diaminoguanidine hydrochloride38360-74-650 % similar Aminoguanidinium chloride16139-18-746 % similar Aminoguanidinium chloride1937-19-546 % similar Thiosemicarbazide hydrochloride4346-94-544 % similar Methylurea598-50-543 % similar Biuret108-19-043 % similar Biurea110-21-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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