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30727-29-8 | Cyclohexanol, 2-(dimethylamino)-
CAS No: 30727-29-8 Catalog No: AG00312B MDL No:
Product Description
Catalog Number:
AG00312B
Chemical Name:
Cyclohexanol, 2-(dimethylamino)-
CAS Number:
30727-29-8
Molecular Formula:
C8H17NO
Molecular Weight:
143.2267
IUPAC Name:
2-(dimethylamino)cyclohexan-1-ol
InChI:
InChI=1S/C8H17NO/c1-9(2)7-5-3-4-6-8(7)10/h7-8,10H,3-6H2,1-2H3
InChI Key:
UFUVLAQFZSUWHR-UHFFFAOYSA-N
SMILES:
CN(C1CCCCC1O)C
EC Number:
250-313-3
NSC Number:
54552
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.23g/mol
Monoisotopic Mass:
143.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Molecular modeling studies on the active binding site of the blood-brain barrier choline transporter. | Bioorganic & medicinal chemistry letters 20040621 |
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