Nimorazole

C₉H₁₄N₄O₃CAS 6506-37-2226.24 g/mol

Open in Covalent MOL file

Ether Nitro Tertiary amine

Properties

Molecular formula: C₉H₁₄N₄O₃
Molar mass: 226.24 g/mol
Exact mass: 226.1066 Da
Melting point: 110–111 °C
logP: 0.12Crippen estimate
Polar surface area: 73.4 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed96.8% of notifiers
H341 Suspected of causing genetic defects96.8% of notifiers
H361 Suspected of damaging fertility or the unborn child96.8% of notifiers
H362 May cause harm to breast-fed children96.8% of notifiers

Aggregated from 31 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

6506-37-2

SMILES

O=[N+]([O-])c1cncn1CCN1CCOCC1

InChIKey

MDJFHRLTPRPZLY-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2

Weigh it out

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

Names and synonyms

15 names · show all

Morpholine, 4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]-
Morpholine, 4-[2-(5-nitroimidazol-1-yl)ethyl]-
4-[2-(5-Nitro-1H-imidazol-1-yl)ethyl]morpholine
1-(β-Morpholinoethyl)-5-nitroimidazole
Nitrimidazine
4-[2-(5-Nitroimidazol-1-yl)ethyl]morpholine
Naxogin
K-1900
Nimorazol
Naxofem
Nulogyl
Acterol
Esclama
NSC 107524
1-(Morpholinoethyl)-5-nitroimidazole

Work with Nimorazole

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-Morpholino-5-nitropyridine26820-62-241 % similar 4-(4-Nitrophenyl)morpholine10389-51-238 % similar Mhy1485326914-06-136 % similar IRAK-1/4 inhibitor509093-47-436 % similar 4-(2-Fluoro-4-nitrophenyl)morpholine2689-39-633 % similar 4-Methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitrobenzonitrile675126-26-833 % similar 4-Morpholino-3-nitrobenzaldehyde300541-91-732 % similar 4-(2,5-Diethoxy-4-nitrophenyl)morpholine86-16-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Carnosine305-84-0 Beta-alanylhistidine9001-99-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook