1-[4-(Trifluoromethyl)phenyl]biguanide hydrochloride - CAS 18960-29-7
Catalog: |
BB014642 |
Product Name: |
1-[4-(Trifluoromethyl)phenyl]biguanide hydrochloride |
CAS: |
18960-29-7 |
Synonyms: |
1-(diaminomethylidene)-2-[4-(trifluoromethyl)phenyl]guanidine;hydrochloride |
IUPAC Name: | 1-(diaminomethylidene)-2-[4-(trifluoromethyl)phenyl]guanidine;hydrochloride |
Description: | 1-[4-(Trifluoromethyl)phenyl]biguanide hydrochloride (CAS# 18960-29-7) is a useful research chemical. |
Molecular Weight: | 281.67 |
Molecular Formula: | C9H11ClF3N5 |
Canonical SMILES: | C1=CC(=CC=C1C(F)(F)F)N=C(N)N=C(N)N.Cl |
InChI: | InChI=1S/C9H10F3N5.ClH/c10-9(11,12)5-1-3-6(4-2-5)16-8(15)17-7(13)14;/h1-4H,(H6,13,14,15,16,17);1H |
InChI Key: | RTSKKAJVUWUZDF-UHFFFAOYSA-N |
Boiling Point: | 391 ℃ at 760 mmHg |
MDL: | MFCD01569535 |
LogP: | 3.70080 |
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 |
EP-3222614-A2 | Biguanide compound and use thereof | 20141120 |
US-10626085-B2 | Biguanide compound and use thereof | 20141120 |
US-2018044283-A1 | Biguanide compound and use thereof | 20141120 |
EP-3222614-B1 | Biguanide compound and use thereof | 20141120 |
US-2020277255-A1 | Biguanide compound and use thereof | 20141120 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.0655076 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.0655076 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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