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14572-93-1 | Benzeneethanol, 2,4-diamino-
CAS No: 14572-93-1 Catalog No: AG001DCO MDL No:
Product Description
Catalog Number:
AG001DCO
Chemical Name:
Benzeneethanol, 2,4-diamino-
CAS Number:
14572-93-1
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
2-(2,4-diaminophenyl)ethanol
InChI:
InChI=1S/C8H12N2O/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4,9-10H2
InChI Key:
VQUSUEWNKVODST-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1N)N
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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