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Home > Other Heterocycles > 279-82-3
279-82-3 | rac-(1R,5S)-3-azabicyclo[3.2.1]octane
CAS No: 279-82-3 Catalog No: AG00J35E MDL No:MFCD19982749
Product Description
Catalog Number:
AG00J35E
Chemical Name:
rac-(1R,5S)-3-azabicyclo[3.2.1]octane
CAS Number:
279-82-3
Molecular Formula:
C7H14ClN
Molecular Weight:
147.6458
MDL Number:
MFCD19982749
IUPAC Name:
3-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2
InChI Key:
CJQNJRRDTPULTL-UHFFFAOYSA-N
SMILES:
N1C[C@@H]2CC[C@H](C1)C2.Cl
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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