chempirical

4-Hydroxypropylamino-3-nitrophenol

C9H12N2O4CAS 92952-81-3212.20 g/mol

Open in Covalent MOL file
ON+O−OHNHHO
AlcoholNitroPhenolSecondary amine

Properties

Molecular formula
C9H12N2O4
Molar mass
212.20 g/mol
Exact mass
212.0797 Da
logP
1.09Crippen estimate
Polar surface area
95.6 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
5

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
92952-81-3
SMILES
O=[N+]([O-])c1cc(O)ccc1NCCCO
InChIKey
VTXBLQLZQLHDIL-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O4/c12-5-1-4-10-8-3-2-7(13)6-9(8)11(14)15/h2-3,6,10,12-13H,1,4-5H2

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Names and synonyms

7 names
  • 4-[(3-Hydroxypropyl)amino]-3-nitrophenol
  • Phenol, 4-[(3-hydroxypropyl)amino]-3-nitro-
  • HC Red BN
  • Velsol red BN
  • TM Red 2
  • Jarocol red BN
  • 3-Nitro-4-hydroxypropylaminophenol

Work with 4-Hydroxypropylamino-3-nitrophenol

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

4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-685 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-261 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-061 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-559 % similar HC Red 32871-01-459 % similar HC Blue 233229-34-455 % similar HC Yellow 24926-55-055 % similar Dinitrophenyl-ε-aminocaproic acid10466-72-548 % similar

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

Same formula

2-Amino-1-(4-nitrophenyl)-1,3-propanediol119-62-0 4-Hydroxy-3,5-dimethoxybenzoic acid hydrazide1443-76-1 (1S,2S)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol2964-48-9 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-4 2',3'-Dideoxyuridine5983-09-5 Chloramphenicol base716-61-0

Elsewhere

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