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1818847-90-3 | Bicyclo[1.1.1]pentan-1-amine, 3-phenyl-, hydrobromide (1:1)
CAS No: 1818847-90-3 Catalog No: AG00236O MDL No:
Product Description
Catalog Number:
AG00236O
Chemical Name:
Bicyclo[1.1.1]pentan-1-amine, 3-phenyl-, hydrobromide (1:1)
CAS Number:
1818847-90-3
Molecular Formula:
C11H14BrN
Molecular Weight:
240.1396
IUPAC Name:
3-phenylbicyclo[1.1.1]pentan-1-amine;hydrobromide
InChI:
InChI=1S/C11H13N.BrH/c12-11-6-10(7-11,8-11)9-4-2-1-3-5-9;/h1-5H,6-8,12H2;1H
InChI Key:
TUXPULBGNZVAIJ-UHFFFAOYSA-N
SMILES:
NC12CC(C1)(C2)c1ccccc1.Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.144g/mol
Monoisotopic Mass:
239.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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