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1217445-51-6 | Phenol, 4-[(1R)-1-aminobutyl]-
CAS No: 1217445-51-6 Catalog No: AG0015NW MDL No:
Product Description
Catalog Number:
AG0015NW
Chemical Name:
Phenol, 4-[(1R)-1-aminobutyl]-
CAS Number:
1217445-51-6
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
4-[(1R)-1-aminobutyl]phenol;hydrochloride
InChI:
InChI=1S/C10H15NO.ClH/c1-2-3-10(11)8-4-6-9(12)7-5-8;/h4-7,10,12H,2-3,11H2,1H3;1H/t10-;/m1./s1
InChI Key:
JKUKIQUZERUIDJ-HNCPQSOCSA-N
SMILES:
CCC[C@H](c1ccc(cc1)O)N
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.092g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.694g/mol
Monoisotopic Mass:
201.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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