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150851-98-2 | (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
CAS No: 150851-98-2 Catalog No: AG00O8M0 MDL No:MFCD00180650
Product Description
Catalog Number:
AG00O8M0
Chemical Name:
(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
CAS Number:
150851-98-2
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
MDL Number:
MFCD00180650
IUPAC Name:
(1S,4R)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C13H15N/c1-2-4-11(5-3-1)9-14-10-12-6-7-13(14)8-12/h1-7,12-13H,8-10H2/t12-,13+/m0/s1
InChI Key:
LXICLGVNNWLLTE-QWHCGFSZSA-N
SMILES:
C1=C[C@@H]2C[C@H]1N(C2)Cc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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