4-(1,1-Dimethylethyl)-2-nitrobenzenamine

C₁₀H₁₄N₂O₂CAS 6310-19-6194.23 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₁₀H₁₄N₂O₂
Molar mass: 194.23 g/mol
Exact mass: 194.1055 Da
Melting point: 102.5–105.5 °C
logP: 2.47Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

6310-19-6

SMILES

CC(C)(C)c1ccc(N)c([N+](=O)[O-])c1

InChIKey

YXTJXBPEGJNGKV-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,11H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 4-(1,1-dimethylethyl)-2-nitro-
Aniline, 4-tert-butyl-2-nitro-
4-tert-Butyl-2-Nitroaniline
2-Nitro-4-tert-butylaniline
NSC 43042

Work with 4-(1,1-Dimethylethyl)-2-nitrobenzenamine

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

2-Nitro-4-(trifluoromethyl)aniline400-98-668 % similar 4-tert-Butyl-2-nitrophenol3279-07-063 % similar 4-tert-Butyl-1-chloro-2-nitrobenzene58574-05-363 % similar 4-Methyl-2-nitroaniline89-62-359 % similar 2-Nitro-4-phenylenediamine5307-14-258 % similar 2,4-Dinitroaniline97-02-958 % similar 4-Fluoro-2-nitroaniline364-78-357 % similar 4-Amino-N,N-dimethyl-3-nitroaniline16293-12-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-2-Pyridinyl-beta-alanine ethyl ester103041-38-9 1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine1153949-11-1 Solriamfetol178429-62-4 N,N-Diethyl-4-nitrobenzenamine2216-15-1 2-(Boc-amino)pyridine38427-94-0 1,4-Bis(acryloyl)piperazine6342-17-2 4-(Boc-amino)pyridine98400-69-2

Elsewhere

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