α-Amino-p-nitroacetophenone hydrochloride

C₈H₉ClN₂O₃CAS 5425-81-0216.62 g/mol

Open in Covalent MOL file

Ketone Nitro Primary amine

Properties

Molecular formula: C₈H₉ClN₂O₃
Molar mass: 216.62 g/mol
Exact mass: 216.0302 Da
Melting point: 250 °C (decomposes)
logP: 1.16Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

5425-81-0

SMILES

Cl.NCC(=O)c1ccc([N+](=O)[O-])cc1

InChIKey

UJBOVJRECBNSDI-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O3.ClH/c9-5-8(11)6-1-3-7(4-2-6)10(12)13;/h1-4H,5,9H2;1H

Weigh it out

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

Names and synonyms

9 names

Ethanone, 2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1)
Acetophenone, 2-amino-4′-nitro-, monohydrochloride
Ethanone, 2-amino-1-(4-nitrophenyl)-, monohydrochloride
Acetophenone, 2-amino-4′-nitro-, hydrochloride
α-Amino-4′-nitroacetophenone hydrochloride
2-Amino-4′-nitroacetophenone hydrochloride
4′-Nitro-2-aminoacetophenone hydrochloride
2-Amino-1-(4-nitrophenyl)ethanone hydrochloride
2-Amino-1-(4-nitrophenyl)ethan-1-one hydrochloride

Work with α-Amino-p-nitroacetophenone hydrochloride

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

4-Nitrophenacyl bromide99-81-061 % similar 2-Aminoacetophenone hydrochloride5468-37-157 % similar 4-Nitrobenzoylacetonitrile3383-43-556 % similar p-Nitrobenzylamine hydrochloride18600-42-555 % similar 2-Amino-4'-fluoroacetophenone hydrochloride456-00-855 % similar α-Amino-p-chloroacetophenone hydrochloride5467-71-055 % similar α-Amino-p-bromoacetophenone hydrochloride5467-72-155 % similar 4-Nitrobenzamidine hydrochloride15723-90-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrophenacylamine hydrochloride36765-84-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook