Basic information
- Standard SMILES
NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N- InChIKey
RONFGUROBZGJKP-UHFFFAOYSA-N- Molecular formula
- C18H41N7
- Average molar mass
- 355.6 g/mol
- Monoisotopic mass
- 355.34234434
Names & identifiers
- Preferred name
- Guazatine
- IUPAC
- 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine
- English name
- GUAZATINE ACETATE SALT
- Molecular formula
- C18H41N7
- Molecular weight
- 0
Names & synonyms
MurbenineMitrolPanolil1,17-diguanidino-9-azaheptadecane2-(8-(8-guanidinooctylamino)octyl)guanidine2-[8-(8-guanidinooctylamino)octyl]guanidineMC 25RefChem:790823CHEBI:82843DTXSID80883176620-427-1108173-90-6
Show more names
gtamc251-[8-[8-(8-guanidinooctylamino)octylamino]octyl]guanidine,1-[8-(8 -guanidinooctylamino)octyl]guanidine,1-(8-guanidinooctyl)guanidin e
Bis(8-guanidino-octyl)amineGuazatine115044-19-4IMINOCTADIENECHEMBL1022762-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidineN-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINECHEBI:5569
Database identifiers
- CAS
108173-90-6、13516-27-3- PubChem CID
- 3526
- ChEMBL
CHEMBL102276- ChEBI
CHEBI:5569- EC Number
- 236-855-3、620-427-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- EPA Substance Registry System
- Guazatine (108173-90-6)
- Symbol(GHS)
- 6 · GHS06,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H318-H330-H335-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P273-P391-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H312: Harmful in contact with skin [Warning Acute toxicity, dermal]；H315: Causes skin irritation [Warning Skin corrosion/irritation]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330: Fatal if inhaled [Danger Acute toxicity, inhalation]；H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
Hazard information
Regulatory InformationGuazatine: HSNO Approval: HSR100463 Approved with controls
Hazard Classes and Categories
Specific target organ toxicity (single exposure) - category 3；Eye damage - category 1；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1；Skin irritation - category 2；Acute toxicity (inhalation) - category 2；Acute toxicity (dermal) - category 4；Acute toxicity (ingestion) - category 4
Acute Tox. 2 *；Acute Tox. 4 *；Acute Tox. 4 *；STOT SE 3；Skin Irrit. 2；Eye Dam. 1；Aquatic Acute 1；Aquatic Chronic 1
Regulatory information
Regulatory InformationGuazatine: HSNO Approval: HSR100463 Approved with controls
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS05,GHS09
- Hazard statements
- H302-H312-H315-H318-H330-H335-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Additional notes
DefinitionChEBI: Iminoctadine is a member of the class of guanidines that is dioctylamine in which a hydrogen from each of the terminal methyl groups is replaced by a guanidino group. Once used as a fungicidal seed dressing, it is no longer approved for use in the European Union. It has a role as an antifungal agrochemical. It is a member of guanidines, a secondary amino compound and an aliphatic nitrogen antifungal agent.
Related reactions
2 records
Linked notes
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