Chloramphenicol base

C₉H₁₂N₂O₄CAS 716-61-0212.20 g/mol

Open in Covalent MOL file

Alcohol Nitro Primary amine

Properties

Molecular formula: C₉H₁₂N₂O₄
Molar mass: 212.20 g/mol
Exact mass: 212.0797 Da
Melting point: 162–163 °C
logP: -0.05Crippen estimate
Polar surface area: 109.6 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed93.2% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.5% of notifiers

Aggregated from 44 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

716-61-0

SMILES

N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1

InChIKey

OCYJXSUPZMNXEN-RKDXNWHRSA-N

InChI

InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-
1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-
1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, [R-(R*,R*)]-
(1R,2R)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
(-)-Threo-1-(p-Nitrophenyl)-2-amino-1,3-propanediol
D-(-)-trans-1-p-Nitrophenyl-2-amino-1,3-propanediol
D-Threo-2-Amino-1-(p-nitrophenyl)-1,3-propanediol
D-Threo-(1R,2R)-1-p-Nitrophenyl-2-amino-1,3-propanediol
D-(-)-Threo-1-p-Nitrophenyl-2-amino-1,3-propanediol
Levoamine
Chloramphenicol D base
D-Threo-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
D-Threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
D-1-(p-Nitrophenyl)-2-aminopropane-1,3-diol
(1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
(1R,2R)-Threo-(-)-1-(4-Nitrophenyl)-2-amino-1,3-propanediol

Work with Chloramphenicol base

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1S,2S)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol2964-48-9Enantiomer 2-Amino-1-(4-nitrophenyl)-1,3-propanediol119-62-0Stereo not defined

Similar compounds

1-(4-Nitrophenyl)-1,2,3-propanetriol2207-68-369 % similar (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-155 % similar (1R,2R)-2-Amino-1-phenyl-1,3-propanediol46032-98-855 % similar Chloramphenicol2787-09-953 % similar (-)-Chloramphenicol56-75-753 % similar (1S,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol16854-32-351 % similar 3-Amino-3-(4-nitrophenyl)propanoic Acid102308-62-348 % similar 2-(4-Nitrophenyl)ethanol100-27-648 % similar

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

Same formula

4-Hydroxy-3,5-dimethoxybenzoic acid hydrazide1443-76-1 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-4 2',3'-Dideoxyuridine5983-09-5 4-Hydroxypropylamino-3-nitrophenol92952-81-3

Elsewhere

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