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1289387-60-5 | 3-Piperidinamine, 1-[(2,4-dichlorophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1289387-60-5 Catalog No: AG000YNJ MDL No:
Product Description
Catalog Number:
AG000YNJ
Chemical Name:
3-Piperidinamine, 1-[(2,4-dichlorophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1289387-60-5
Molecular Formula:
C12H17Cl3N2
Molecular Weight:
295.6358
IUPAC Name:
1-[(2,4-dichlorophenyl)methyl]piperidin-3-amine;hydrochloride
InChI:
InChI=1S/C12H16Cl2N2.ClH/c13-10-4-3-9(12(14)6-10)7-16-5-1-2-11(15)8-16;/h3-4,6,11H,1-2,5,7-8,15H2;1H
InChI Key:
MPPFKTNTWXWVDF-UHFFFAOYSA-N
SMILES:
NC1CCCN(C1)Cc1ccc(cc1Cl)Cl.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.632g/mol
Monoisotopic Mass:
294.046g/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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