(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine

C₁₅H₁₃N₃O₅CAS 69632-32-2315.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₃N₃O₅
Molar mass: 315.29 g/mol
Exact mass: 315.0855 Da
logP: 2.99Crippen estimate
Polar surface area: 115.4 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

69632-32-2

SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChIKey

ABEVDCGKLRIYRW-SNVBAGLBSA-N

InChI

InChI=1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)/t10-/m1/s1

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Work with (R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine

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

(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine74927-72-367 % similar (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine90761-62-967 % similar 4′-Nitrobenzanilide3393-96-245 % similar 1-(3,5-Dinitrophenyl)ethanone14401-75-344 % similar 3-Nitrobenzophenone2243-80-344 % similar Methyl 3,5-dinitrobenzoate2702-58-142 % similar Jnj 635330541802326-66-441 % similar 3,5-Dinitrobenzoyl chloride99-33-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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