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17972-49-5 | 1-Butanol, 3-(phenylamino)-
CAS No: 17972-49-5 Catalog No: AG00277Z MDL No:MFCD20666414
Product Description
Catalog Number:
AG00277Z
Chemical Name:
1-Butanol, 3-(phenylamino)-
CAS Number:
17972-49-5
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD20666414
IUPAC Name:
3-anilinobutan-1-ol
InChI:
InChI=1S/C10H15NO/c1-9(7-8-12)11-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChI Key:
UOIIVXRTQYVTBM-UHFFFAOYSA-N
SMILES:
OCCC(Nc1ccccc1)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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