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82138-03-2 | Cycloheptanol, 2-[(dimethylamino)methyl]-
CAS No: 82138-03-2 Catalog No: AG004W68 MDL No:
Product Description
Catalog Number:
AG004W68
Chemical Name:
Cycloheptanol, 2-[(dimethylamino)methyl]-
CAS Number:
82138-03-2
Molecular Formula:
C10H21NO
Molecular Weight:
171.2798
IUPAC Name:
2-[(dimethylamino)methyl]cycloheptan-1-ol
InChI:
InChI=1S/C10H21NO/c1-11(2)8-9-6-4-3-5-7-10(9)12/h9-10,12H,3-8H2,1-2H3
InChI Key:
FZWYOXWDIYHRAF-UHFFFAOYSA-N
SMILES:
CN(CC1CCCCCC1O)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.162g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.284g/mol
Monoisotopic Mass:
171.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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