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152482-94-5

152482-94-5 | 2-(2-aminoethyl)benzothiazole dihydrochloride

CAS No: 152482-94-5 Catalog No: AG00AQDP MDL No:MFCD09971388

Product Description

Catalog Number:
AG00AQDP
Chemical Name:
2-(2-aminoethyl)benzothiazole dihydrochloride
CAS Number:
152482-94-5
Molecular Formula:
C9H12Cl2N2S
Molecular Weight:
251.1760
MDL Number:
MFCD09971388
IUPAC Name:
2-(1,3-benzothiazol-2-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C9H10N2S.2ClH/c10-6-5-9-11-7-3-1-2-4-8(7)12-9;;/h1-4H,5-6,10H2;2*1H
InChI Key:
SXCKNEKTNOXFJE-UHFFFAOYSA-N
SMILES:
NCCc1nc2c(s1)cccc2.Cl.Cl

Properties

Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
251.169g/mol
Monoisotopic Mass:
250.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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