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1215419-42-3 | Ethanol, 2-[(2,4-diaminophenyl)methoxy]-, hydrochloride (1:2)
CAS No: 1215419-42-3 Catalog No: AG00158N MDL No:MFCD16039407
Product Description
Catalog Number:
AG00158N
Chemical Name:
Ethanol, 2-[(2,4-diaminophenyl)methoxy]-, hydrochloride (1:2)
CAS Number:
1215419-42-3
Molecular Formula:
C9H16Cl2N2O2
Molecular Weight:
255.1415
MDL Number:
MFCD16039407
IUPAC Name:
2-[(2,4-diaminophenyl)methoxy]ethanol;dihydrochloride
InChI:
InChI=1S/C9H14N2O2.2ClH/c10-8-2-1-7(9(11)5-8)6-13-4-3-12;;/h1-2,5,12H,3-4,6,10-11H2;2*1H
InChI Key:
FDBIBTMHYXHABZ-UHFFFAOYSA-N
SMILES:
OCCOCc1ccc(cc1N)N.Cl.Cl
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
255.139g/mol
Monoisotopic Mass:
254.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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