Home Other Building Blocks 3,8-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-9-ol hydrochloride

3,8-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-9-ol hydrochloride

CAS No.:
1803597-70-7
Catalog Number:
AG01B9CF
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
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Product Description
Catalog Number:
AG01B9CF
Chemical Name:
3,8-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-9-ol hydrochloride
CAS Number:
1803597-70-7
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
MDL Number:
MFCD28383813
IUPAC Name:
3,8-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-9-ol;hydrochloride
InChI:
InChI=1S/C11H14N2O.ClH/c14-11-5-1-3-8(7-11)10-9(13-11)4-2-6-12-10;/h2,4,6,8,13-14H,1,3,5,7H2;1H
InChI Key:
SYKVPSMRHJDQNR-UHFFFAOYSA-N
SMILES:
OC12CCCC(C1)c1c(N2)cccn1.Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.087g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
226.704g/mol
Monoisotopic Mass:
226.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties