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174172-95-3 | 1-Butanol, 2-[[(4-methoxyphenyl)methyl]amino]-, (R)- (9CI)
CAS No: 174172-95-3 Catalog No: AG001ZHO MDL No:
Product Description
Catalog Number:
AG001ZHO
Chemical Name:
1-Butanol, 2-[[(4-methoxyphenyl)methyl]amino]-, (R)- (9CI)
CAS Number:
174172-95-3
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
IUPAC Name:
(2R)-2-[(4-methoxyphenyl)methylamino]butan-1-ol
InChI:
InChI=1S/C12H19NO2/c1-3-11(9-14)13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3/t11-/m1/s1
InChI Key:
TVBHEFDNRRBGAK-LLVKDONJSA-N
SMILES:
CC[C@@H](NCc1ccc(cc1)OC)CO
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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