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123194-01-4 | 1-Azabicyclo[2.2.2]octane-3-carbonitrile, 3-amino-
CAS No: 123194-01-4 Catalog No: AG000K5H MDL No:MFCD11191126
Product Description
Catalog Number:
AG000K5H
Chemical Name:
1-Azabicyclo[2.2.2]octane-3-carbonitrile, 3-amino-
CAS Number:
123194-01-4
Molecular Formula:
C8H13N3
Molecular Weight:
151.2089
MDL Number:
MFCD11191126
IUPAC Name:
3-amino-1-azabicyclo[2.2.2]octane-3-carbonitrile
InChI:
InChI=1S/C8H13N3/c9-5-8(10)6-11-3-1-7(8)2-4-11/h7H,1-4,6,10H2
InChI Key:
WVFQAXXFCPVSED-UHFFFAOYSA-N
SMILES:
N#CC1(N)CN2CCC1CC2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.213g/mol
Monoisotopic Mass:
151.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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