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1417794-47-8 | 5-Pyrimidinemethanamine, 2,4-dichloro-N-ethyl-, hydrochloride (1:1)
CAS No: 1417794-47-8 Catalog No: AG001H61 MDL No:
Product Description
Catalog Number:
AG001H61
Chemical Name:
5-Pyrimidinemethanamine, 2,4-dichloro-N-ethyl-, hydrochloride (1:1)
CAS Number:
1417794-47-8
Molecular Formula:
C7H10Cl3N3
Molecular Weight:
242.5334
IUPAC Name:
N-[(2,4-dichloropyrimidin-5-yl)methyl]ethanamine;hydrochloride
InChI:
InChI=1S/C7H9Cl2N3.ClH/c1-2-10-3-5-4-11-7(9)12-6(5)8;/h4,10H,2-3H2,1H3;1H
InChI Key:
CHIPYDUPNVHLKW-UHFFFAOYSA-N
SMILES:
CCNCc1cnc(nc1Cl)Cl.Cl
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.528g/mol
Monoisotopic Mass:
240.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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