Dopamine

C₈H₁₁NO₂CAS 51-61-6153.18 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₈H₁₁NO₂
Molar mass: 153.18 g/mol
Exact mass: 153.0790 Da
Melting point: 128 °C
Boiling point: 227 °C
pKa: 8.93 (conjugate acid)
Water solubility: freely soluble
logP: 0.60Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

51-61-6

SMILES

NCCc1ccc(O)c(O)c1

InChIKey

VYFYYTLLBUKUHU-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

Weigh it out

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

Names and synonyms

18 names · show all

1,2-Benzenediol, 4-(2-aminoethyl)-
Pyrocatechol, 4-(2-aminoethyl)-
4-(2-Aminoethyl)-1,2-benzenediol
4-(2-Aminoethyl)pyrocatechol
DA
3,4-Dihydroxyphenethylamine
3,4-Dihydroxyphenylethylamine
3-Hydroxytyramine
Oxytyramine
2-(3,4-Dihydroxyphenyl)ethylamine
α-(3,4-Dihydroxyphenyl)-β-aminoethane
Dopamin
Hydroxytyramin
4-(2-Aminoethyl)catechol
Dophamine
NSC 173182
2-(3,4-Dihydroxyphenyl)-1-ethanamine
Duobaan

Work with Dopamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Dopamine hydrochloride62-31-7Salt 4-(2-Aminoethyl)pyrocatechol hydrobromide645-31-8Salt

Similar compounds

Hydroxytyrosol10597-60-161 % similar 3-Methoxytyramine554-52-961 % similar 3,4-Dihydroxybenzylamine hydrobromide16290-26-957 % similar 3-Methoxy-4-hydroxyphenylethylamine hydrochloride1477-68-556 % similar Tyramine51-67-256 % similar 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-056 % similar 3,4-Dihydroxybenzyl alcohol3897-89-054 % similar 4-Ethyl-1,2-benzenediol1124-39-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxyaniline102-56-7 3,5-Dimethoxyaniline10272-07-8 Octopamine104-14-3 Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-6 (alphaR)-alpha-Amino-1,4-cyclohexadiene-1-acetic acid26774-88-9 2,6-Dimethoxyaniline2734-70-5 2,4-Dimethoxyaniline2735-04-8 1-Cyanocyclobutanecarboxylic acid ethyl ester28246-87-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook