chempirical

1-(3-Aminophenyl)urea hydrochloride

C7H10ClN3OCAS 59690-88-9187.63 g/mol

Open in Covalent MOL file
HClNH2OHNNH2
Primary amine

Properties

Molecular formula
C7H10ClN3O
Molar mass
187.63 g/mol
Exact mass
187.0512 Da
Melting point
above 275 °C
logP
1.60Crippen estimate
Polar surface area
82.1 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
1

Identifiers

CAS number
59690-88-9
SMILES
Cl.N=C(O)Nc1cccc(N)c1
InChIKey
VTTUKXZEJFCOIL-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3O.ClH/c8-5-2-1-3-6(4-5)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);1H

Weigh it out

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

Names and synonyms

4 names
  • Urea, N-(3-aminophenyl)-, hydrochloride (1:1)
  • Urea, (3-aminophenyl)-, monohydrochloride
  • (3-Aminophenyl)-urea monohydrochloride
  • (3-Aminophenyl)-urea hydrochloride

Work with 1-(3-Aminophenyl)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

Similar compounds

N-(3-Hydroxyphenyl)urea701-82-657 % similar N-(3-Methylphenyl)urea63-99-055 % similar M-Phenylenediamine hydrochloride541-69-547 % similar 4-Chlorophenylurea140-38-545 % similar 3-Aminobenzoic acid hydrochloride15151-51-644 % similar 3-Aminobenzamide3544-24-944 % similar m-Aminophenol hydrochloride51-81-043 % similar N-(3-Aminophenyl)acetamide hydrochloride621-35-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Girard'S P reagent1126-58-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook