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828928-33-2 | 1-(3,4-Dichloro-benzyl)-pyrrolidin-3-ylamine dihydrochloride
CAS No: 828928-33-2 Catalog No: AG0054GC MDL No:
Product Description
Catalog Number:
AG0054GC
Chemical Name:
1-(3,4-Dichloro-benzyl)-pyrrolidin-3-ylamine dihydrochloride
CAS Number:
828928-33-2
Molecular Formula:
C11H16Cl4N2
Molecular Weight:
318.0701
IUPAC Name:
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
InChI:
InChI=1S/C11H14Cl2N2.2ClH/c12-10-2-1-8(5-11(10)13)6-15-4-3-9(14)7-15;;/h1-2,5,9H,3-4,6-7,14H2;2*1H
InChI Key:
ZHYOEAYJDYXNCB-UHFFFAOYSA-N
SMILES:
NC1CCN(C1)Cc1ccc(c(c1)Cl)Cl.Cl.Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
318.063g/mol
Monoisotopic Mass:
316.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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