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1393568-29-0 | 4-Pyrimidineethanamine, 2-chloro-
CAS No: 1393568-29-0 Catalog No: AG001AUB MDL No:
Product Description
Catalog Number:
AG001AUB
Chemical Name:
4-Pyrimidineethanamine, 2-chloro-
CAS Number:
1393568-29-0
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
IUPAC Name:
2-(2-chloropyrimidin-4-yl)ethanamine
InChI:
InChI=1S/C6H8ClN3/c7-6-9-4-2-5(10-6)1-3-8/h2,4H,1,3,8H2
InChI Key:
DSKLAIYJOPFZNE-UHFFFAOYSA-N
SMILES:
NCCc1ccnc(n1)Cl
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.601g/mol
Monoisotopic Mass:
157.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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