200,000+ products from a single source!
sales@angenechem.com
116258-17-4 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-, hydrobromide (1:2), (1S,4S)-
CAS No: 116258-17-4 Catalog No: AG000C1V MDL No:MFCD08669797
Product Description
Catalog Number:
AG000C1V
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-, hydrobromide (1:2), (1S,4S)-
CAS Number:
116258-17-4
Molecular Formula:
C12H18Br2N2
Molecular Weight:
350.0927
MDL Number:
MFCD08669797
IUPAC Name:
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
InChI:
InChI=1S/C12H16N2.2BrH/c1-2-4-10(5-3-1)8-14-9-11-6-12(14)7-13-11;;/h1-5,11-13H,6-9H2;2*1H/t11-,12-;;/m0../s1
InChI Key:
SOMPEQIPSQFVMO-AQEKLAMFSA-N
SMILES:
c1ccc(cc1)CN1C[C@@H]2C[C@H]1CN2.Br.Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
349.982g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
350.098g/mol
Monoisotopic Mass:
347.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.