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128218-35-9 | 1-Propanol, 3-[(1-phenylethyl)amino]-
CAS No: 128218-35-9 Catalog No: AG000XUV MDL No:MFCD00466631
Product Description
Catalog Number:
AG000XUV
Chemical Name:
1-Propanol, 3-[(1-phenylethyl)amino]-
CAS Number:
128218-35-9
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD00466631
IUPAC Name:
3-(1-phenylethylamino)propan-1-ol
InChI:
InChI=1S/C11H17NO/c1-10(12-8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3
InChI Key:
OCUYEHFIDUKNIU-UHFFFAOYSA-N
SMILES:
OCCCNC(c1ccccc1)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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