2-Aminobenzaldehyde
Properties
- Molecular formula
- C7H7NO
- Molar mass
- 121.14 g/mol
- Exact mass
- 121.0528 Da
- Melting point
- 39 °C
- Boiling point
- 82.5 °C
- logP
- 1.08Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
529-23-7SMILES
Nc1ccccc1C=OInChIKey
FXWFZIRWWNPPOV-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzaldehyde, 2-amino-
- Anthranilaldehyde
- o-Aminobenzaldehyde
- 2-Formylaniline
Reactions
Work with 2-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Phthalaldehyde643-79-862 % similar
(1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-554 % similar
4-Aminonicotinaldehyde42373-30-852 % similar
3-Amino-pyridine-4-carbaldehyde55279-29-352 % similar
2-Amino-5-chlorobenzaldehyde20028-53-950 % similar
2-Amino-5-bromobenzaldehyde29124-57-050 % similar
2-Amino-4-bromobenzaldehyde59278-65-850 % similar
2-Bromobenzaldehyde6630-33-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds