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Home > Other Heterocycles > 1217827-86-5
1217827-86-5 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-, hydrochloride (1:2), (1R,4R)-rel-
CAS No: 1217827-86-5 Catalog No: AG0015ZR MDL No:MFCD09026538
Product Description
Catalog Number:
AG0015ZR
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-, hydrochloride (1:2), (1R,4R)-rel-
CAS Number:
1217827-86-5
Molecular Formula:
C12H18Cl2N2
Molecular Weight:
261.1907
MDL Number:
MFCD09026538
IUPAC Name:
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
InChI:
InChI=1S/C12H16N2.2ClH/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:
LQADNDJRIUBIRR-AQEKLAMFSA-N
SMILES:
c1ccc(cc1)CN1C[C@@H]2C[C@H]1CN2.Cl.Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.19g/mol
Monoisotopic Mass:
260.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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