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Home > Other Heterocycles > 93428-54-7
93428-54-7 | 3,8-Diazabicyclo[3.2.1]octane, 3-(phenylmethyl)-, dihydrochloride
CAS No: 93428-54-7 Catalog No: AG00IHM1 MDL No:MFCD10699147
Product Description
Catalog Number:
AG00IHM1
Chemical Name:
3,8-Diazabicyclo[3.2.1]octane, 3-(phenylmethyl)-, dihydrochloride
CAS Number:
93428-54-7
Molecular Formula:
C13H20Cl2N2
Molecular Weight:
275.2173
MDL Number:
MFCD10699147
IUPAC Name:
3-benzyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
InChI:
InChI=1S/C13H18N2.2ClH/c1-2-4-11(5-3-1)8-15-9-12-6-7-13(10-15)14-12;;/h1-5,12-14H,6-10H2;2*1H
InChI Key:
KJUQKNNIOPKKTE-UHFFFAOYSA-N
SMILES:
C1CC2NC1CN(C2)Cc1ccccc1.Cl.Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.217g/mol
Monoisotopic Mass:
274.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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