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85533-49-9 | Phenol, 2-amino-4-butyl-
CAS No: 85533-49-9 Catalog No: AG004USI MDL No:MFCD20690868
Product Description
Catalog Number:
AG004USI
Chemical Name:
Phenol, 2-amino-4-butyl-
CAS Number:
85533-49-9
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD20690868
IUPAC Name:
2-amino-4-butylphenol
InChI:
InChI=1S/C10H15NO/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7,12H,2-4,11H2,1H3
InChI Key:
NVKDNDRCUYIBLB-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)N)O
Properties
Complexity:
127
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:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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