3-Aminobenzamidine dihydrochloride - CAS 37132-68-6
Catalog: |
BB023202 |
Product Name: |
3-Aminobenzamidine dihydrochloride |
CAS: |
37132-68-6 |
Synonyms: |
3-aminobenzenecarboximidamide;dihydrochloride |
IUPAC Name: | 3-aminobenzenecarboximidamide;dihydrochloride |
Description: | 3-Aminobenzamidine dihydrochloride (CAS# 37132-68-6) is a reactant that has been used in the synthesis of N-phenylamidines as selective inhibitors of human neuronal nitric oxide synthase. |
Molecular Weight: | 208.09 |
Molecular Formula: | C7H11Cl2N3 |
Canonical SMILES: | C1=CC(=CC(=C1)N)C(=N)N.Cl.Cl |
InChI: | InChI=1S/C7H9N3.2ClH/c8-6-3-1-2-5(4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H |
InChI Key: | FKFMMMVFFYPIEE-UHFFFAOYSA-N |
Boiling Point: | 307.3 ℃ at 760 mmHg |
Density: | g/cm3 |
Appearance: | White, pink or brownish powder |
MDL: | MFCD00012974 |
LogP: | 3.47380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019535688-A | Prodrugs of kallikrein inhibitors | 20161031 |
WO-2010138084-A1 | CRYSTAL STRUCTURE OF CAP-FREE HUMAN eIF4E | 20090528 |
AU-2009313198-A1 | Compounds useful as inhibitors of ATR kinase | 20081110 |
AU-2009313198-B2 | Compounds useful as inhibitors of ATR kinase | 20081110 |
AU-2016203414-A1 | Compounds useful as inhibitors of ATR kinase | 20081110 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0330028 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0330028 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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