1-Isobutyl-7-nitro-1,2,3,4-tetrahydroquinoline

C₁₃H₁₈N₂O₂CAS 959235-79-1234.30 g/mol

Open in Covalent MOL file

Nitro Tertiary amine

Properties

Molecular formula: C₁₃H₁₈N₂O₂
Molar mass: 234.30 g/mol
Exact mass: 234.1368 Da
logP: 3.00Crippen estimate
Polar surface area: 46.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

959235-79-1

SMILES

CC(C)CN1CCCC2=C1C=C(C=C2)[N+](=O)[O-]

InChIKey

PPMVNPPYRKIWTP-UHFFFAOYSA-N

InChI

InChI=1S/C13H18N2O2/c1-10(2)9-14-7-3-4-11-5-6-12(15(16)17)8-13(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3

Weigh it out

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

Work with 1-Isobutyl-7-nitro-1,2,3,4-tetrahydroquinoline

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

1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-071 % similar 1-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline39275-18-864 % similar 7-Nitro-1-tetralone40353-34-245 % similar 7-Nitro-1,2,3,4-tetrahydroquinoline30450-62-545 % similar 6-Nitroindoline19727-83-443 % similar 1-Acetyl-5-nitroindoline33632-27-843 % similar 1-(4-Nitrophenyl)piperidine6574-15-843 % similar 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-3-Amino-1-N-cbz-piperidine1044560-96-4 4-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-7 Benzyl 1,4-diazepane-1-carboxylate117009-97-9 (S)-2-(Aminomethyl)-1-cbz-pyrrolidine119020-03-0 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-1 Lenacil2164-08-1 3-Cbz-aminopiperidine hcl31648-54-1 Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook