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1233518-21-2 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, hydrochloride (1:1)
CAS No: 1233518-21-2 Catalog No: AG000KFH MDL No:
Product Description
Catalog Number:
AG000KFH
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, hydrochloride (1:1)
CAS Number:
1233518-21-2
Molecular Formula:
C6H7ClN4
Molecular Weight:
170.5996
IUPAC Name:
7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
InChI:
InChI=1S/C6H6N4.ClH/c7-5-4-1-2-8-6(4)10-3-9-5;/h1-3H,(H3,7,8,9,10);1H
InChI Key:
CBSFHACOKWGHCS-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1cc[nH]2.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.6g/mol
Monoisotopic Mass:
170.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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