para-Dimethylaminobenzaldehyde

C9H11NOCAS 100-10-7149.19 g/mol

Open in Covalent MOL file
NO
AldehydeTertiary amine

Properties

Molecular formula
C9H11NO
Molar mass
149.19 g/mol
Exact mass
149.0841 Da
Melting point
74.5 °C
Boiling point
176–177 °C
logP
1.57Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 148 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number
100-10-7
SMILES
CN(C)c1ccc(C=O)cc1
InChIKey
BGNGWHSBYQYVRX-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 9.98 (s, 1H), 7.74 (d, J = 7.7 Hz, 2H), 6.92 (d, J = 7.7 Hz, 2H), 2.88 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 192.1, 156.6, 130.4, 124.8, 113.2, 35.4.
[M + H]+
[M + H]+ Calcd for C9H12NO 150.0913
[M + Na]+
[M + Na]+ Calcd for C9H11NNaO 172.0733
[M − H]−
[M − H]− Calcd for C9H10NO 148.0768
Elemental analysis
Anal. Calcd for C9H11NO: C, 72.46; H, 7.43; N, 9.39.

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzaldehyde, 4-(dimethylamino)-
  • Benzaldehyde, p-(dimethylamino)-
  • 4-(Dimethylamino)benzaldehyde
  • p-(Dimethylamino)benzaldehyde
  • 4-(Dimethylamino)benzenecarbonal
  • p-Formyldimethylaniline
  • p-(N,N-Dimethylamino)benzaldehyde
  • 4-(N,N-Dimethylamino)benzaldehyde
  • p-Formyl-N,N-dimethylaniline
  • N,N-Dimethyl-p-aminobenzaldehyde
  • 4-Formyl-N,N-dimethylaniline
  • N,N-Dimethyl-4-formylaniline
  • N,N-Dimethyl-4-aminobenzaldehyde
  • Named reagents and solutions, Ehrlich's
  • p-DAB
  • NSC 5517
  • p-Dimethylaminobenzaldehyde

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-10-7. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with para-Dimethylaminobenzaldehyde

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

Tris(4-formylphenyl)amine119001-43-363 % similar 4-(Dimethylamino)cinnamaldehyde6203-18-559 % similar 4-((2-Chloroethyl)methylamino)benzaldehyde94-31-558 % similar Wurster's blue100-22-157 % similar 1,4-Benzenedicarboxaldehyde623-27-857 % similar 4-(Diethylamino)benzaldehyde120-21-855 % similar 4-(Bis(p-tolyl)amino)benzaldehyde42906-19-455 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylacetanilide103-89-9 1-(3-Aminophenyl)-1-propanone1197-05-3 N-(2-Methylphenyl)acetamide120-66-1 (1S,2R)-(-)-1-Amino-2-indanol126456-43-7 (+)-cis-1-Amino-2-indanol136030-00-7 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-3 (1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-2 (1S,2S)-1-Amino-2-indanol163061-74-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia