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17740-50-0 | 3,8-Diazabicyclo[3.2.1]octane-3-ethanol, 8-methyl-
CAS No: 17740-50-0 Catalog No: AG0025AE MDL No:MFCD18817529
Product Description
Catalog Number:
AG0025AE
Chemical Name:
3,8-Diazabicyclo[3.2.1]octane-3-ethanol, 8-methyl-
CAS Number:
17740-50-0
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
MDL Number:
MFCD18817529
IUPAC Name:
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol
InChI:
InChI=1S/C9H18N2O/c1-10-8-2-3-9(10)7-11(6-8)4-5-12/h8-9,12H,2-7H2,1H3
InChI Key:
CQDICPVHFMTUNE-UHFFFAOYSA-N
SMILES:
OCCN1CC2CCC(C1)N2C
Properties
Complexity:
149
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:
1
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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