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74248-90-1 | Phenol,4-[(3S)-3-aminobutyl]-
CAS No: 74248-90-1 Catalog No: AG005CRC MDL No:
Product Description
Catalog Number:
AG005CRC
Chemical Name:
Phenol,4-[(3S)-3-aminobutyl]-
CAS Number:
74248-90-1
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
4-[(3S)-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-/m0/s1
InChI Key:
WNTVTQIJPAFZEL-QMMMGPOBSA-N
SMILES:
C[C@@H](CCc1ccc(cc1)O)N
UNII:
V22KDK823T
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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