Quinoclamine

C₁₀H₆ClNO₂CAS 2797-51-5207.61 g/mol

Open in Covalent MOL file

Alkene Ketone Primary amine Vinyl halide

Properties

Molecular formula: C₁₀H₆ClNO₂
Molar mass: 207.61 g/mol
Exact mass: 207.0087 Da
Melting point: 199 °C
logP: 1.47Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation
H351 Suspected of causing cancerCarcinogenicity
H361d Suspected of damaging the unborn childReproductive toxicity
H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 606-154-00-0), via PubChem.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

2797-51-5

SMILES

NC1=C(Cl)C(=O)c2ccccc2C1=O

InChIKey

OBLNWSCLAYSJJR-UHFFFAOYSA-N

InChI

InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2

Weigh it out

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

Names and synonyms

16 names · show all

1,4-Naphthalenedione, 2-amino-3-chloro-
1,4-Naphthoquinone, 2-amino-3-chloro-
2-Amino-3-chloro-1,4-naphthalenedione
06K
06K50W
2-Amino-3-chloro-1,4-naphthoquinone
2-Chloro-3-amino-1,4-naphthoquinone
06K-Quinone
ACNQ
2-Amino-3-chloronaphthoquinone
ACN
3-Chloro-2-amino-1,4-naphthoquinone
Mogeton
NSC 3910
NSC 642009
2-Amino-3-chloro-1,4-dihydronaphthalene-1,4-dione

Work with Quinoclamine

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

Dichlone117-80-669 % similar 1,4-Diamino-2,3-dihydroanthraquinone81-63-044 % similar 2-Chloro-1,4-naphthoquinone1010-60-242 % similar 3-Amino-2-phenyl-1H-inden-1-one1947-47-342 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-541 % similar Phenanthrenequinone84-11-740 % similar Phthaloyl chloride88-95-940 % similar 2-Chloro-3-[trans-4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione153977-22-139 % similar

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

Same formula

(o-Chlorophenyl)maleimide1203-24-3 1-(3-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1204-35-9 (2E)-3-(4-Chlorophenyl)-2-cyanoprop-2-enoic acid20374-46-3 α-Oxo-1H-indole-3-acetyl chloride22980-09-2 2-Chloro-4-quinolinecarboxylic acid5467-57-2 2-Chloroquinoline-3-carboxylic acid73776-25-7

Elsewhere

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