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139415-80-8 | 1,2-Benzenedimethanol, 4-(2-aminoethyl)-
CAS No: 139415-80-8 Catalog No: AG001AZ5 MDL No:
Product Description
Catalog Number:
AG001AZ5
Chemical Name:
1,2-Benzenedimethanol, 4-(2-aminoethyl)-
CAS Number:
139415-80-8
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
[4-(2-aminoethyl)-2-(hydroxymethyl)phenyl]methanol
InChI:
InChI=1S/C10H15NO2/c11-4-3-8-1-2-9(6-12)10(5-8)7-13/h1-2,5,12-13H,3-4,6-7,11H2
InChI Key:
SSPZCWZICDQFBT-UHFFFAOYSA-N
SMILES:
NCCc1ccc(c(c1)CO)CO
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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