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1233954-96-5 | N-(2-Bromobenzyl)piperidine-4-amine dihydrochloride
CAS No: 1233954-96-5 Catalog No: AG01F8PJ MDL No:
Product Description
Catalog Number:
AG01F8PJ
Chemical Name:
N-(2-Bromobenzyl)piperidine-4-amine dihydrochloride
CAS Number:
1233954-96-5
Molecular Formula:
C12H19BrCl2N2
Molecular Weight:
342.1027
IUPAC Name:
N-[(2-bromophenyl)methyl]piperidin-4-amine;dihydrochloride
InChI:
InChI=1S/C12H17BrN2.2ClH/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11;;/h1-4,11,14-15H,5-9H2;2*1H
InChI Key:
CGUPBSQCFLNUQT-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CNC1CCNCC1.Cl.Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
342.102g/mol
Monoisotopic Mass:
340.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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