CAS
917388-58-0 Purity
96%
917388-58-0 Purity
96%
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Ha-1004
CAS
91742-10-8
Catalog Number
ACM91742108
Category
Other Products
Molecular Weight
366.26
Molecular Formula
C12H15N5O2S.2HCl
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Specification
IUPAC Name
2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine
InChI Key
MZNDNBFMSVMUCX-UHFFFAOYSA-N
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of Ha-1004?
The molecular formula of Ha-1004 is C12H15N5O2S.
When was Ha-1004 created and modified?
Ha-1004 was created on March 25, 2005, and modified on December 30, 2023.
What is the molecular weight of Ha-1004?
The molecular weight of Ha-1004 is 293.35 g/mol.
What are some synonyms for Ha-1004?
Some synonyms for Ha-1004 include N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide and N-(2-guanidinoethyl)isoquinoline-5-sulfonamide.
What is the Canonical SMILES notation for Ha-1004?
The Canonical SMILES notation for Ha-1004 is C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N.
What is the InChIKey for Ha-1004?
The InChIKey for Ha-1004 is MZNDNBFMSVMUCX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Ha-1004 have?
Ha-1004 has 3 hydrogen bond donor counts.
What is the XLogP3-AA value for Ha-1004?
The XLogP3-AA value for Ha-1004 is -0.5.
How many rotatable bond counts does Ha-1004 have?
Ha-1004 has 5 rotatable bond counts.
Is the compound Ha-1004 canonicalized?
Yes, the compound Ha-1004 is canonicalized.
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