2-(2-(2-(Dipropylamino)ethyl)-6-nitrophenyl)acetic acid hydrochloride

C₁₆H₂₅ClN₂O₄CAS 91374-25-3344.84 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Tertiary amine

Properties

Molecular formula: C₁₆H₂₅ClN₂O₄
Molar mass: 344.84 g/mol
Exact mass: 344.1503 Da
logP: 3.31Crippen estimate
Polar surface area: 83.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 10

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

91374-25-3

SMILES

CCCN(CCC)CCC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O.Cl

InChIKey

FPWCGNYEZSMQIY-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N2O4.ClH/c1-3-9-17(10-4-2)11-8-13-6-5-7-15(18(21)22)14(13)12-16(19)20;/h5-7H,3-4,8-12H2,1-2H3,(H,19,20);1H

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Names and synonyms

1 names

2-[2-(Dipropylamino)ethyl]-6-nitrophenylacetic acid hydrochloride

Work with 2-(2-(2-(Dipropylamino)ethyl)-6-nitrophenyl)acetic acid 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

2-Methyl-3-nitro-N,N-dipropylbenzeneethanamine91374-23-159 % similar 2-Methyl-3-nitrobenzeneacetic acid23876-15-553 % similar Ropinirole hydrochloride91374-20-853 % similar (2-Nitrophenyl)acetic acid3740-52-152 % similar 2-(2-Methyl-3-nitrophenyl)-N,N-dipropylacetamide91374-22-048 % similar Ropinirole91374-21-947 % similar (4,5-Dimethoxy-2-nitro-phenyl)-acetic acid73357-18-342 % similar 2,4-Dinitrophenylacetic acid643-43-641 % similar

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

Same formula

Bestatin hydrochloride65391-42-6

Elsewhere

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