1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-


Chemical Name: 1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-
CAS Number: 84955-31-7
Product Number: AG00333A(AGN-PC-0OJHIN)
Synonyms:
MDL No: MFCD07369229
Molecular Formula: C6H5ClN4
Molecular Weight: 168.5837

Identification/Properties


Properties
MP:
215-216°C
BP:
472.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.584g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
168.02g/mol
Monoisotopic Mass:
168.02g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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