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740787-10-4 | 2,4-Pteridinediamine,5,6,7,8-tetrahydro-N2-methyl-
CAS No: 740787-10-4 Catalog No: AG005HMC MDL No:
Product Description
Catalog Number:
AG005HMC
Chemical Name:
2,4-Pteridinediamine,5,6,7,8-tetrahydro-N2-methyl-
CAS Number:
740787-10-4
Molecular Formula:
C7H12N6
Molecular Weight:
180.2104
IUPAC Name:
2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine
InChI:
InChI=1S/C7H12N6/c1-9-7-12-5(8)4-6(13-7)11-3-2-10-4/h10H,2-3H2,1H3,(H4,8,9,11,12,13)
InChI Key:
MPJGSEOZOYGCFC-UHFFFAOYSA-N
SMILES:
CNc1nc(N)c2c(=NCCN2)[nH]1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.112g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
180.215g/mol
Monoisotopic Mass:
180.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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