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1159823-45-6 | Benzeneethanamine, 2-amino-, hydrochloride (1:2)
CAS No: 1159823-45-6 Catalog No: AG000HAW MDL No:MFCD09878747
Product Description
Catalog Number:
AG000HAW
Chemical Name:
Benzeneethanamine, 2-amino-, hydrochloride (1:2)
CAS Number:
1159823-45-6
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
MDL Number:
MFCD09878747
IUPAC Name:
2-(2-aminoethyl)aniline;dihydrochloride
InChI:
InChI=1S/C8H12N2.2ClH/c9-6-5-7-3-1-2-4-8(7)10;;/h1-4H,5-6,9-10H2;2*1H
InChI Key:
KRZZSHRMVZTDTQ-UHFFFAOYSA-N
SMILES:
NCCc1ccccc1N.Cl.Cl
Properties
Complexity:
93.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
209.114g/mol
Monoisotopic Mass:
208.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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