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87828-81-7 | 2-Pyridinemethanol, 6-[(hexahydro-1H-azepin-1-yl)methyl]-
CAS No: 87828-81-7 Catalog No: AG004H81 MDL No:
Product Description
Catalog Number:
AG004H81
Chemical Name:
2-Pyridinemethanol, 6-[(hexahydro-1H-azepin-1-yl)methyl]-
CAS Number:
87828-81-7
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
[6-(azepan-1-ylmethyl)pyridin-2-yl]methanol
InChI:
InChI=1S/C13H20N2O/c16-11-13-7-5-6-12(14-13)10-15-8-3-1-2-4-9-15/h5-7,16H,1-4,8-11H2
InChI Key:
XEUYAQYHPOALFU-UHFFFAOYSA-N
SMILES:
OCc1cccc(n1)CN1CCCCCC1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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