9H-Purin-6-amine, 2-chloro-9-(1-methylethyl)-N-(phenylmethyl)-


Chemical Name: 9H-Purin-6-amine, 2-chloro-9-(1-methylethyl)-N-(phenylmethyl)-
CAS Number: 186692-41-1
Product Number: AG0075L5(AGN-PC-0N9N0F)
Synonyms:
MDL No:
Molecular Formula: C15H16ClN5
Molecular Weight: 301.7740

Identification/Properties


Computed Properties
Molecular Weight:
301.778g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
301.109g/mol
Monoisotopic Mass:
301.109g/mol
Topological Polar Surface Area:
55.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
334
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:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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