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16635-94-2 | 1,2-Ethanediamine, 1-phenyl-, hydrochloride (1:2)
CAS No: 16635-94-2 Catalog No: AG001WOG MDL No:MFCD01726798
Product Description
Catalog Number:
AG001WOG
Chemical Name:
1,2-Ethanediamine, 1-phenyl-, hydrochloride (1:2)
CAS Number:
16635-94-2
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
MDL Number:
MFCD01726798
IUPAC Name:
1-phenylethane-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C8H12N2.2ClH/c9-6-8(10)7-4-2-1-3-5-7;;/h1-5,8H,6,9-10H2;2*1H
InChI Key:
ZVHIGOVJILOQNV-UHFFFAOYSA-N
SMILES:
NCC(c1ccccc1)N.Cl.Cl
Properties
Complexity:
87.3
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:
1
Undefined Bond Stereocenter Count:
0
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