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100462-86-0 | 6-Pteridinemethanol, 2,4-diamino-, hydrochloride (1:?)
CAS No: 100462-86-0 Catalog No: AG00022F MDL No:
Product Description
Catalog Number:
AG00022F
Chemical Name:
6-Pteridinemethanol, 2,4-diamino-, hydrochloride (1:?)
CAS Number:
100462-86-0
Molecular Formula:
C7H9ClN6O
Molecular Weight:
228.6390
IUPAC Name:
(2,4-diaminopteridin-6-yl)methanol;hydrochloride
InChI:
InChI=1S/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H
InChI Key:
XZHMPUJCSYVIQL-UHFFFAOYSA-N
SMILES:
OCc1cnc2c(n1)c(N)nc(n2)N.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
228.64g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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