4-(2-Aminoethyl)benzenesulfonamide

C₈H₁₂N₂O₂SCAS 35303-76-5200.26 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₈H₁₂N₂O₂S
Molar mass: 200.26 g/mol
Exact mass: 200.0619 Da
Melting point: 145–147 °C
logP: -0.16Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed63.6% of notifiers
H314 Causes severe skin burns and eye damage27.3% of notifiers
H315 Causes skin irritation22.7% of notifiers
H319 Causes serious eye irritation18.2% of notifiers
H335 May cause respiratory irritation13.6% of notifiers

Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

35303-76-5

SMILES

NCCc1ccc(S(N)(=O)=O)cc1

InChIKey

FXNSVEQMUYPYJS-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)

Weigh it out

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

Names and synonyms

11 names

Benzenesulfonamide, 4-(2-aminoethyl)-
Benzenesulfonamide, p-(2-aminoethyl)-
p-(β-Aminoethyl)benzenesulfonamide
p-(2-Aminoethyl)benzenesulfonamide
4-Sulfamoylphenethylamine
2-[4-(Aminosulfonyl)phenyl]ethylamine
4-(Aminosulfonyl)phenethylamine
p-Aminoethyl-benzenesulfonamide
4-(2-Aminoethyl)benzensulfonamide
2-(4-Sulfamoylphenyl)ethylamine
4-Aminoethylbenzenesulfonamide

Work with 4-(2-Aminoethyl)benzenesulfonamide

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

p-(Aminomethyl)benzenesulfonamide hydrochloride138-37-461 % similar 4-Ethylbenzenesulfonamide138-38-560 % similar 4-Bromomethyl-benzenesulfonamide40724-47-860 % similar 4-N-Butylbenzenesulfonamide1135-00-859 % similar 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride30827-99-753 % similar Sulfanilamide63-74-152 % similar 4-Hydroxybenzenesulfonamide1576-43-850 % similar 4-Fluorobenzenesulfonamide402-46-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-N-methylbenzenemethanesulfonamide109903-35-7 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-4 4-Amino-N-ethylbenzenesulfonamide1709-53-1 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-7 1,3-Diethyl-2-thiobarbituric acid5217-47-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook