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115548-15-7 | Phenol, 4-[(3R)-3-aminobutyl]-
CAS No: 115548-15-7 Catalog No: AG000G4D MDL No:MFCD00671645
Product Description
Catalog Number:
AG000G4D
Chemical Name:
Phenol, 4-[(3R)-3-aminobutyl]-
CAS Number:
115548-15-7
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD00671645
IUPAC Name:
4-[(3R)-3-aminobutyl]phenol
InChI:
InChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3/t8-/m1/s1
InChI Key:
WNTVTQIJPAFZEL-MRVPVSSYSA-N
SMILES:
C[C@H](CCc1ccc(cc1)O)N
UNII:
MO17924WRK
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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