Diethyl-p-phenylenediamine sulfate

C₁₀H₁₈N₂O₄SCAS 6283-63-2262.32 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₄S
Molar mass: 262.32 g/mol
Exact mass: 262.0987 Da
Melting point: 182–184 °C
logP: 1.46Crippen estimate
Polar surface area: 103.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin23% of notifiers
H319 Causes serious eye irritation11.5% of notifiers

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number

6283-63-2

SMILES

CCN(CC)c1ccc(N)cc1.O=S(=O)(O)O

InChIKey

AYLDJQABCMPYEN-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N2.H2O4S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-5(2,3)4/h5-8H,3-4,11H2,1-2H3;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

8 names

1,4-Benzenediamine, N1,N1-diethyl-, sulfate (1:1)
p-Phenylenediamine, N,N-diethyl-, sulfate (1:1)
1,4-Benzenediamine, N,N-diethyl-, sulfate (1:1)
N,N-Diethyl-p-phenylenediamine sulfate
N,N-Diethyl-1,4-phenylenediamine sulfate
NSC 7653
N,N-Diethylbenzene-1,4-diamine sulfate
N,N′-Diethyl-1,4-phenylenediammonium sulfate

Work with Diethyl-p-phenylenediamine sulfate

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.

Color developing agent 193-05-0Free base N,N-Diethyl-p-phenylenediamine hydrochloride2198-58-5Salt N,N-Diethyl-p-phenylenediamine oxalate62637-92-7Salt

Similar compounds

N-Ethyl-N-(2-hydroxyethyl)-p-phenylenediamine sulfate4327-84-878 % similar N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulfate54381-16-765 % similar N,N-Dimethyl-p-phenylenediamine sulfate536-47-063 % similar N,N-Dimethyl-p-phenylenediamine sulfate6219-73-463 % similar 1,4-Benzenediamine sulfate16245-77-560 % similar p-Aminophenol sulfate63084-98-051 % similar 4-(4-Ethyl-1-piperazinyl)benzenamine115619-01-751 % similar Color developing agent 425646-77-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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