4-Aminobenzaldehyde

C₇H₇NOCAS 556-18-3121.14 g/mol

Open in Covalent MOL file

Aldehyde Primary amine

Properties

Molecular formula: C₇H₇NO
Molar mass: 121.14 g/mol
Exact mass: 121.0528 Da
Melting point: 71 °C
logP: 1.08Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

556-18-3

SMILES

Nc1ccc(C=O)cc1

InChIKey

VATYWCRQDJIRAI-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2

Weigh it out

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

Names and synonyms

6 names

Benzaldehyde, 4-amino-
Benzaldehyde, p-amino-
p-Aminobenzaldehyde
p-Formylaniline
4-Formylaniline
NSC 45163

Reactions

p-AMINOBENZALDEHYDE (Benzaldehyde, p-amino-)product

Work with 4-Aminobenzaldehyde

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

1,4-Benzenedicarboxaldehyde623-27-867 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar Benzaldehyde100-52-750 % similar 4-Methylbenzaldehyde104-87-050 % similar 4-Chlorobenzaldehyde104-88-150 % similar P-Phenylenediamine106-50-350 % similar 4-Bromobenzaldehyde1122-91-450 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Formanilide103-70-8 4-Acetylpyridine1122-54-9 2-Acetylpyridine1122-62-9 6-Methyl-2-pyridinecarboxaldehyde1122-72-1 3-Acetylpyridine350-03-8 4-Methylnicotinaldehyde51227-28-2 2-Aminobenzaldehyde529-23-7 6-Methyl-3-pyridinecarboxaldehyde53014-84-9

Elsewhere

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