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89729-78-2 | 1,3-Propanediol, 2-(4-amino-2-methylphenyl)-
CAS No: 89729-78-2 Catalog No: AG0041IC MDL No:
Product Description
Catalog Number:
AG0041IC
Chemical Name:
1,3-Propanediol, 2-(4-amino-2-methylphenyl)-
CAS Number:
89729-78-2
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
2-(4-amino-2-methylphenyl)propane-1,3-diol
InChI:
InChI=1S/C10H15NO2/c1-7-4-9(11)2-3-10(7)8(5-12)6-13/h2-4,8,12-13H,5-6,11H2,1H3
InChI Key:
HOJIBSGTGYEHGS-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1C)N)CO
Properties
Complexity:
148
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:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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