4-Aminobenzamide

C7H8N2OCAS 2835-68-9136.15 g/mol

Open in Covalent MOL file
NH2ONH2
AmidePrimary amine

Properties

Molecular formula
C7H8N2O
Molar mass
136.15 g/mol
Exact mass
136.0637 Da
Melting point
181–183 °C
logP
0.37Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2835-68-9
SMILES
NC(=O)c1ccc(N)cc1
InChIKey
QIKYZXDTTPVVAC-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.72 (d, J = 7.7 Hz, 2H), 6.71 (d, J = 7.7 Hz, 2H), 5.80 (br s, 2H), 3.60 (br s, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 168.3, 150.0, 128.0, 123.4, 115.1.
[M + H]+
[M + H]+ Calcd for C7H9N2O 137.0709
[M + Na]+
[M + Na]+ Calcd for C7H8N2NaO 159.0529
[M − H]−
[M − H]− Calcd for C7H7N2O 135.0564
Elemental analysis
Anal. Calcd for C7H8N2O: C, 61.75; H, 5.92; N, 20.58.

Weigh it out

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

Names and synonyms

15 names · show all
  • Benzamide, 4-amino-
  • Benzamide, p-amino-
  • p-Aminobenzamide
  • p-Carbamoylaniline
  • 4-Carbamoylaniline
  • SR 4329
  • p-Aminobenzenecarboxamide
  • (4-Aminophenyl)carboxamide
  • 4-Aminobenzenecarboxamide
  • (4-(Aminocarbonyl)phenyl)amine
  • NSC 233920
  • NSC 36963
  • 4-Carboxamidoaniline
  • 4-(Aminocarbonyl)aniline
  • p-Aminocarbonylaniline

Work with 4-Aminobenzamide

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

Terephthalamide3010-82-074 % similar 4-Amino-N-[4-(aminocarbonyl)phenyl]benzamide74441-06-866 % similar 4,4'-Diaminobenzophenone611-98-361 % similar Benzamide55-21-057 % similar 4-Methylbenzamide619-55-656 % similar 4-Chlorobenzamide619-56-756 % similar 4-Hydroxybenzamide619-57-856 % similar 4-Bromobenzamide698-67-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-methylnicotinaldehyde1023814-35-8 N′-Methylnicotinamide114-33-0 3,4-Dihydro-2H-pyrido(3,2-b)(1,4)oxazine20348-23-6 2-Acetyl-3-methylpyrazine23787-80-6 Salicylhydrazone3291-00-7 3-Aminobenzamide3544-24-9 2-Amino-4,5-dimethylfuran-3-carbonitrile5117-88-4 N-2-Pyridinylacetamide5231-96-9

Elsewhere

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