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14788-05-7 | Phenol, 4-[(2S)-2-(ethylamino)propyl]-
CAS No: 14788-05-7 Catalog No: AG001F9J MDL No:
Product Description
Catalog Number:
AG001F9J
Chemical Name:
Phenol, 4-[(2S)-2-(ethylamino)propyl]-
CAS Number:
14788-05-7
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
4-[(2S)-2-(ethylamino)propyl]phenol
InChI:
InChI=1S/C11H17NO/c1-3-12-9(2)8-10-4-6-11(13)7-5-10/h4-7,9,12-13H,3,8H2,1-2H3/t9-/m0/s1
InChI Key:
UKAILBXLEBDNCN-VIFPVBQESA-N
SMILES:
CCN[C@H](Cc1ccc(cc1)O)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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