N,N-Dimethyl-4-nitrosoaniline

C₈H₁₀N₂OCAS 138-89-6150.18 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₈H₁₀N₂O
Molar mass: 150.18 g/mol
Exact mass: 150.0793 Da
Density: 1.145 g/mL (at 20 °C)
Melting point: 92.5–93.5 °C
Water solubility: < 100 mg/L (21.1 °C)
logP: 2.15Crippen estimate
Polar surface area: 32.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H251 Self-heating; may catch fire97.8% of notifiers
H301 Toxic if swallowed95.6% of notifiers
H315 Causes skin irritation88.9% of notifiers
H317 May cause an allergic skin reaction86.7% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation86.7% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P235, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P407, P410, P413, P420, P501

Identifiers

CAS number

138-89-6

SMILES

CN(C)c1ccc(N=O)cc1

InChIKey

CMEWLCATCRTSGF-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3

Weigh it out

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Names and synonyms

16 names · show all

Benzenamine, N,N-dimethyl-4-nitroso-
Aniline, N,N-dimethyl-p-nitroso-
N,N-Dimethyl-4-nitrosobenzenamine
Accelerine
NDMA
p-Nitroso-N,N-dimethylaniline
Ultra brilliant blue P
p-(Dimethylamino)nitrosobenzene
4-Nitroso-N,N-dimethylaniline
4-(Dimethylamino)nitrosobenzene
p-(N,N-Dimethylamino)nitrosobenzene
1-(Dimethylamino)-4-nitrosobenzene
N,N-Dimethyl-p-nitrosoaniline
p-NDMA
4-Nitroso-N,N-dimethylaminobenzene
NSC 2775

Work with N,N-Dimethyl-4-nitrosoaniline

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

Wurster's blue100-22-157 % similar 1,4-Dinitrosobenzene105-12-457 % similar N,N-Diethyl-4-nitrosoaniline120-22-955 % similar Methyl yellow60-11-754 % similar 4-Isothiocyanato-N,N-dimethylbenzenamine2131-64-850 % similar N,N,N',N'-Tetramethylbenzidine366-29-050 % similar 4-((4-Aminophenyl)azo)-N,N-dimethylaniline539-17-350 % similar Tetramethyl-p-phenylenediamine dihydrochloride637-01-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Aminoacetanilide102-28-3 Acetylphenylhydrazine114-83-0 4-Aminoacetanilide122-80-5 3-Methylbenzohydrazide13050-47-0 4-Methylbenzamidoxime19227-13-5 3-Amino-4-methylbenzamide19406-86-1 3-Amino-N-methylbenzamide25900-61-2 2-Acetyl-3-ethylpyrazine32974-92-8

Elsewhere

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