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1261234-05-2 | 2-Piperidinemethanamine, 1-(5-chloro-2-pyrimidinyl)-, hydrochloride (1:1)
CAS No: 1261234-05-2 Catalog No: AG000ROE MDL No:
Product Description
Catalog Number:
AG000ROE
Chemical Name:
2-Piperidinemethanamine, 1-(5-chloro-2-pyrimidinyl)-, hydrochloride (1:1)
CAS Number:
1261234-05-2
Molecular Formula:
C10H16Cl2N4
Molecular Weight:
263.1668
IUPAC Name:
[1-(5-chloropyrimidin-2-yl)piperidin-2-yl]methanamine;hydrochloride
InChI:
InChI=1S/C10H15ClN4.ClH/c11-8-6-13-10(14-7-8)15-4-2-1-3-9(15)5-12;/h6-7,9H,1-5,12H2;1H
InChI Key:
PNDOAZWRDHLCGZ-UHFFFAOYSA-N
SMILES:
NCC1CCCCN1c1ncc(cn1)Cl.Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.166g/mol
Monoisotopic Mass:
262.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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