4-tert-Butylbenzohydrazide

C₁₁H₁₆N₂OCAS 43100-38-5192.26 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₁₁H₁₆N₂O
Molar mass: 192.26 g/mol
Exact mass: 192.1263 Da
Melting point: 117–118 °C
logP: 1.59Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed88.6% of notifiers
H312 Harmful in contact with skin88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled88.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

43100-38-5

SMILES

CC(C)(C)c1ccc(C(=O)NN)cc1

InChIKey

XYUFQWDLRLHUPB-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)

Weigh it out

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

Names and synonyms

10 names

Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
Benzoic acid, p-tert-butyl-, hydrazide
4-tert-Butylbenzoic acid hydrazide
p-tert-Butylbenzoic acid hydrazide
(p-tert-Butylbenzoyl)hydrazine
4-tert-Butylbenzoylhydrazine
4-tert-Butylbenzhydrazide
4-tert-Butylbenzoyl hydrazide
4-(1,1-Dimethylethyl)benzoic acid hydrazide
4-tert-Butylbenzoic hydrazide

Work with 4-tert-Butylbenzohydrazide

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

Terephthalic dihydrazide136-64-167 % similar p-(Trifluoromethyl)benzoylhydrazine339-59-364 % similar 4-Methylbenzohydrazide3619-22-559 % similar 4-Aminobenzoic acid hydrazide5351-17-756 % similar p-(tert-Butyl)benzamide56108-12-456 % similar 4-Fluorobenzoic acid hydrazide456-06-455 % similar 4-Hydroxybenzoic acid hydrazide5351-23-555 % similar 4-Chlorobenzoic acid hydrazide536-40-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-N-tert-butylbenzamide1203-89-0 1-[2-(Aminomethyl)phenyl]-3-pyrrolidinol1220033-92-0 1-(3-Methoxyphenyl)piperazine16015-71-7 4-Morpholinobenzylamine214759-74-7 1-(2-Methoxyphenyl)piperazine35386-24-4 1-(4-Methoxyphenyl)piperazine38212-30-5 Tocainide41708-72-9 4-(Morpholinomethyl)aniline51013-67-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook