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1379337-55-9 | 2-[3-(Dimethylamino)phenyl]-2-butanol
CAS No: 1379337-55-9 Catalog No: AG01FD39 MDL No:
Product Description
Catalog Number:
AG01FD39
Chemical Name:
2-[3-(Dimethylamino)phenyl]-2-butanol
CAS Number:
1379337-55-9
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
2-[3-(dimethylamino)phenyl]butan-2-ol
InChI:
InChI=1S/C12H19NO/c1-5-12(2,14)10-7-6-8-11(9-10)13(3)4/h6-9,14H,5H2,1-4H3
InChI Key:
KMCXXYQZUPALSG-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)N(C)C)(O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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