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15788-14-4 | Benzeneethanol, 3,4-diamino-
CAS No: 15788-14-4 Catalog No: AG001PSX MDL No:MFCD18825352
Product Description
Catalog Number:
AG001PSX
Chemical Name:
Benzeneethanol, 3,4-diamino-
CAS Number:
15788-14-4
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD18825352
IUPAC Name:
2-(3,4-diaminophenyl)ethanol
InChI:
InChI=1S/C8H12N2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4,9-10H2
InChI Key:
JBRDLNMAUMZCPN-UHFFFAOYSA-N
SMILES:
OCCc1ccc(c(c1)N)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:
-0.2
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