2-benzyl-2-azabicyclo[2.2.1]heptane, 95%

Name: 2-benzyl-2-azabicyclo[2.2.1]heptane
Brand: Chempure

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CAS Number

116230-22-9

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About this item

IUPAC name	2-benzyl-2-azabicyclo[2.2.1]heptane
canonical smiles	C1CC2CC1CN2CC3=CC=CC=C3
inchi	InChI=1S/C13H17N/c1-2-4-11(5-3-1)9-14-10-12-6-7-13(14)8-12/h1-5,12-13H,6-10H2
inchi key	BGUMIYVVOFWSOD-UHFFFAOYSA-N
molecular formula	C13H17N
synonyms	2-benzyl-2-azabicyclo[2.2.1]heptane 116230-22-9 SCHEMBL10475095 3-benzyl-3-azabicyclo[2.2.1]heptane EN300-719684

Computed Properties

Molecular Weight:	187.28 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	187.136099547 g/mol
Monoisotopic Mass:	187.136099547 g/mol
Topological Polar Surface Area:	3.2 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	195
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: BB1770

2-benzyl-2-azabicyclo[2.2.1]heptane, 95%

Product No: BB1770

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