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1653-64-1 | 1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)
CAS No: 1653-64-1 Catalog No: AG001W2D MDL No:MFCD00035193
Product Description
Catalog Number:
AG001W2D
Chemical Name:
1,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)
CAS Number:
1653-64-1
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD00035193
IUPAC Name:
2-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c10-4-3-7-1-2-8-9(5-7)12-6-11-8;/h1-2,5H,3-4,6,10H2;1H
InChI Key:
NDYXFQODWGEGNU-UHFFFAOYSA-N
SMILES:
NCCc1ccc2c(c1)OCO2.Cl
NSC Number:
28335
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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