Color developing agent 4

C₁₁H₂₀N₂O₅SCAS 25646-77-9292.35 g/mol

Open in Covalent MOL file

Alcohol Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₂₀N₂O₅S
Molar mass: 292.35 g/mol
Exact mass: 292.1093 Da
logP: 0.74Crippen estimate
Polar surface area: 124.1 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
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 612-133-00-7), via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P319, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

25646-77-9

SMILES

CCN(CCO)c1ccc(N)c(C)c1.O=S(=O)(O)O

InChIKey

GVEYRUKUJCHJSR-UHFFFAOYSA-N

InChI

InChI=1S/C11H18N2O.H2O4S/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;1-5(2,3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

7 names

Ethanol, 2-[(4-amino-3-methylphenyl)ethylamino]-, sulfate (1:1) (salt)
Ethanol, 2-[(4-amino-3-methylphenyl)ethylamino]-, sulfate (1:1)
CD 4
Kodak CD 4
PPD 4
4-(N-Ethyl-N-2-hydroxyethyl)-2-methylphenylenediamine sulfate
(4-Ammonio-m-tolyl)ethyl(2-hydroxyethyl)ammonium sulfate

Work with Color developing agent 4

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

Color developing agent 325646-71-370 % similar Color developing agent cd-324567-76-866 % similar N-Ethyl-N-(2-hydroxyethyl)-p-phenylenediamine sulfate4327-84-866 % similar N,N-Diethyltoluene-2,5-diamine hydrochloride2051-79-857 % similar 4-(Ethyl(2-hydroxyethyl)amino)-o-tolualdehyde21850-52-255 % similar N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulfate54381-16-752 % similar 2,5-Diaminotoluene sulfate615-50-951 % similar Diethyl-p-phenylenediamine sulfate6283-63-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine19746-37-3

Elsewhere

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