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28718-90-3 | 1H-Indole-6-carboximidamide, 2-[4-(aminoiminomethyl)phenyl]-, hydrochloride (1:2)
CAS No: 28718-90-3 Catalog No: AG002W8S MDL No:MFCD00012681
Product Description
Catalog Number:
AG002W8S
Chemical Name:
1H-Indole-6-carboximidamide, 2-[4-(aminoiminomethyl)phenyl]-, hydrochloride (1:2)
CAS Number:
28718-90-3
Molecular Formula:
C16H17Cl2N5
Molecular Weight:
350.2457
MDL Number:
MFCD00012681
IUPAC Name:
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;dihydrochloride
InChI:
InChI=1S/C16H15N5.2ClH/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;;/h1-8,21H,(H3,17,18)(H3,19,20);2*1H
InChI Key:
FPNZBYLXNYPRLR-UHFFFAOYSA-N
SMILES:
NN=Cc1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N.Cl.Cl
EC Number:
249-186-7
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
350.247g/mol
Monoisotopic Mass:
349.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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