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Home > Other Heterocycles > 19847-01-9
19847-01-9 | 3,9-Diazabicyclo[3.3.1]nonane-9-ethanol
CAS No: 19847-01-9 Catalog No: AG002BJF MDL No:
Product Description
Catalog Number:
AG002BJF
Chemical Name:
3,9-Diazabicyclo[3.3.1]nonane-9-ethanol
CAS Number:
19847-01-9
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
IUPAC Name:
2-(3,9-diazabicyclo[3.3.1]nonan-9-yl)ethanol
InChI:
InChI=1S/C9H18N2O/c12-5-4-11-8-2-1-3-9(11)7-10-6-8/h8-10,12H,1-7H2
InChI Key:
ILQUNSGIBWPGRD-UHFFFAOYSA-N
SMILES:
OCCN1C2CCCC1CNC2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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