UCSF

ZINC01883067

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 16 No

Popular Name: 2,4,6-Trinitrophenol 2,4,6-Trinitrophenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 577-48-0 , 88-89-1

Other Names:

trop-

1,4-Benzodioxan-2-ethylamine picrate; 2-(2-Aminoethyl)-1,4-benzodioxan, picrate; LS-34404

1,5-Dimethyl-delta(sup 2)-pyrazoline picrate; 2-Pyrazoline, 1,5-dimethyl-, picrate; LS-128791

1-Methyl-4-phenyl-4-piperidinecarboxaldehyde picrate; 1762 I.S; 4-Fenil-4-formil-N-metilpiridina picrato [Italian]; 4-Piperidinecarboxaldehyde, 1-methyl-4-phenyl-, picrate; LS-114493

2,2',2''-trichlorotriethylamine monopicrate; Ammonium, tri-(beta-chloroethyl)-, picrate; C6H12Cl3N.C6H3N3O7; LS-157418; Tri-(beta-chloroethyl)ammonium picrate; Triethylamine, 2,2',2''-trichloro-, picrate

2,4,6-trinitrophenol-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine(1:1)

2-Benzyl-2-thiopseudourea picrate; Benzyl thiouronium picrate; LS-126027; Pseudourea, 2-benzyl-2-thio-, monopicrate

2-hydroxy-1,3,5-trinitrobenzene; acide picrique

2-Pyrrolidinone, 3-dimethylamino-1-phenyl-, picrate; 3-Dimethylamino-1-phenyl-2-pyrrolidinone picrate; LS-138736

218

3,3'-Dichloro-N-methyl-dipropylamine picrate; Dipropylamine, 3,3'-dichloro-N-methyl-, picrate; LS-62915; N-Methyl-3,3'-dichlorodipropylamine picrate

4-(Dibutylamino)butyronitrile picrate; Butanenitrile, 4-(dibutylamino)-, compd. with 2,4,6-trinitrophenol (1:1); Butyronitrile, 4-(dibutylamino)-, picrate; LS-48225; NSC 89101

577-48-0; Butamben picrate (USAN); D03183

6,7,10-Trimethyl-5,9-imino-4,5,8,9-tetrahydro-cycloocta(b)-thiophenpicrat [German]; Cycloocta(b)thiophen-5,9-imine, 4,5,8,9-tetrahydro-6,7,10-trimethyl-, compd. with 2,4,6-trinitrophenol (1:1); LS-57726

Ammonium Picrate

azanium 2,4,6-trinitrophenolate

Benzo(b)thiophene-3-methanol, alpha-(dimethylaminomethyl)-, picrate; LS-41235; alpha-(Dimethylaminomethyl)benzo(b)thiophene-3-methanol picrate

CHEBI:46148; CHEBI:32972

Ethylenediamine, N-allyl-N',N'-bis(2-chloroethyl)-N-methyl-, dipicrate; LS-68333; N-Allyl-N',N'-bis(2-chloroethyl)-N-methylethylenediamine dipicrate

LS-109753; Phenol, 2,4,6-trinitro-, sodium salt, hydrate; Picric acid, sodium salt, hydrate; Sodium picrate monohydrate

LS-153076

LS-18598

LS-47376; N,N-Bis(2-chloroethyl)-tert-butylamine N-oxide picrate; N-tert-Butyl-bis(2-chloroethyl)amine N-oxide picrate; tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate

LS-8450

LS-86679

LS-99050

MFCD00007102

MFCD00035656

MFCD00035658

MFCD00035659

MFCD00156372

MFCD00195601

MFCD00228402

MFCD00229530

MFCD00344791

MFCD00795840

MFCD00849190

MFCD02669307

MFCD02670413

MFCD02725085

MFCD03934923

MFCD07799102

MFCD09265567

picric acid

Trinitrophenol (NF)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 6.13 -30.72 0 10 -1 161 228.096 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.71 Bitter DB
ALOGPS_SOLUBILITY 1.94e-01 g/l DrugBank-experimental
mp 145 - 146 MolMall (formerly Molecular Diversity Preservation International)
mp 193 - 195 MolMall (formerly Molecular Diversity Preservation International)
Patent Database Links GB2312375; US2003229170; US2007202177; WO2006083130 ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )