1-Benzylguanidine Hemisulfate - CAS 2551-73-7
Catalog: |
BB018939 |
Product Name: |
1-Benzylguanidine Hemisulfate |
CAS: |
2551-73-7 |
Synonyms: |
2-(phenylmethyl)guanidine;sulfuric acid; 2-benzylguanidine;sulfuric acid |
IUPAC Name: | 2-benzylguanidine;sulfuric acid |
Description: | 1-Benzylguanidine Hemisulfate (CAS# 2551-73-7 ) is a useful research chemical. |
Molecular Weight: | 198.23 |
Molecular Formula: | C8H11N3.1/2H2O4S |
Canonical SMILES: | C1=CC=C(C=C1)CN=C(N)N.C1=CC=C(C=C1)CN=C(N)N.OS(=O)(=O)O |
InChI: | InChI=1S/2C8H11N3.H2O4S/c2*9-8(10)11-6-7-4-2-1-3-5-7;1-5(2,3)4/h2*1-5H,6H2,(H4,9,10,11);(H2,1,2,3,4) |
InChI Key: | SQYPEJLKAOZVHW-UHFFFAOYSA-N |
Boiling Point: | 300 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
MDL: | MFCD01746693 |
LogP: | 4.14920 |
Publication Number | Title | Priority Date |
KR-820001338-B1 | Method for preparing benzyl pyrimidine | 19780705 |
CA-1102324-A | Benzylpyrimidines, processes for their manufacture, and drugs containing the said compounds | 19770706 |
EP-0000334-A1 | 2,4-Diamino-5-benzyl-pyrimidines, process for their preparation and medicines containing them | 19770706 |
EP-0000334-B1 | 2,4-diamino-5-benzyl-pyrimidines, process for their preparation and medicines containing them | 19770706 |
US-4279899-A | Benzylpyrimidines, processes for their manufacture, and drugs containing the said compounds | 19770706 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 396.15797444 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 396.15797444 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 212 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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