chempirical

2-(Thiophen-3-yl)ethan-1-amine hydrochloride

C6H10ClNSCAS 34843-84-0163.66 g/mol

Open in Covalent MOL file
SH2NHCl
Primary amine

Properties

Molecular formula
C6H10ClNS
Molar mass
163.66 g/mol
Exact mass
163.0222 Da
logP
1.67Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
34843-84-0
SMILES
C1=CSC=C1CCN.Cl
InChIKey
PYUCPHDVJORSMA-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NS.ClH/c7-3-1-6-2-4-8-5-6;/h2,4-5H,1,3,7H2;1H

Weigh it out

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

Names and synonyms

1 names
  • 3-Aminoethylthiophene hcl

Work with 2-(Thiophen-3-yl)ethan-1-amine hydrochloride

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.

2-(3-Thienyl)ethanamine59311-67-0Free base

Similar compounds

2-Phenylethylamine hydrochloride156-28-554 % similar 3-Thiophenemethanamine27757-86-454 % similar 3-Thiopheneethanol13781-67-450 % similar Tyramine hydrochloride60-19-548 % similar 3-Butylthiophene34722-01-547 % similar Poly(3-hexylthiophene)104934-50-144 % similar 3-Dodecylthiophene104934-52-344 % similar 3-N-Octadecylthiophene104934-54-544 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook