1-(4-Fluorophenyl)biguanide hydrochloride - CAS 16018-83-0
Catalog: |
BB011610 |
Product Name: |
1-(4-Fluorophenyl)biguanide hydrochloride |
CAS: |
16018-83-0 |
Synonyms: |
1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride |
IUPAC Name: | 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride |
Description: | 1-(4-Fluorophenyl)biguanide hydrochloride (CAS# 16018-83-0) is a useful research chemical. |
Molecular Weight: | 231.66 |
Molecular Formula: | C8H11ClFN5 |
Canonical SMILES: | C1=CC(=CC=C1N=C(N)N=C(N)N)F.Cl |
InChI: | InChI=1S/C8H10FN5.ClH/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H |
InChI Key: | HBYJTLZNKNUTCP-UHFFFAOYSA-N |
Boiling Point: | 396.3 °C at 760 mmHg |
Melting Point: | 250-254 °C (lit.) |
Purity: | 95 % |
MDL: | MFCD00051986 |
LogP: | 2.82110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21206078 | 20110101 | Five pseudopolymorphs and a cocrystal of nitrofurantoin | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0687012 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0687012 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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