N'-(2,4-dimethylphenyl)-N-methylformamidine
Grundinformationen
- CAS
33089-74-6- Standard-SMILES
CN=CNc1ccc(C)cc1C- InChIKey
JIIOLEGNERQDIP-UHFFFAOYSA-N- Summenformel
- C10H14N2
- Durchschnittliche Molmasse
- 162,23 g/mol
- Monoisotopische Masse
- 162,11569846
Überblick
N'-(2,4-dimethylphenyl)-N-methylformamidine is a member of the class of formamidines that is N-methylimidoformamide in which the hydrogen attached to the nitrogen atom has been replaced by a 2,4-dimethylphenyl group. It is a metabolite of the insecticide amitraz. It has a role as a marine xenobiotic metabolite. It is a member of benzenes and a member of formamidines.
Namen und Bezeichner
- Bevorzugter Name
- N'-(2,4-dimethylphenyl)-N-methylformamidine
- IUPAC
- N-(2,4-dimethylphenyl)-N'-methylmethanimidamide
- Englischer Name
- N-2,4-Dimethylphenyl-N'-methylformamidine
- Summenformel
- C10H14N2
- Molmasse
- 162.23
Namen und Synonyme
33089-74-6N'-(2,4-Dimethylphenyl)-N-methylformamidineSemiamitrazMethanimidamide, N-(2,4-dimethylphenyl)-N'-methyl-N'-(2,4-Xylyl)-N-methylformamidineDTXSID1037696N-Methyl-N'-2,4-xylylformamidineU-40481CTZ715OQFANSC-363957U 40481U 40481A
Weitere Namen anzeigen
FormamidineSemiamitraz hydrochlorideu40481bts27271DANJIAMIIminomethanamineAminomethanimine
SN-49844UK-16353DTXCID9017696CHEBI:83515SN 49844UK 16353BTS-27271RefChem:884863
Datenbank-Bezeichner
- CAS
33089-74-6- PubChem CID
- 36326
- DTXSID
DTXSID1037696- ChEMBL
CHEMBL1192540- ChEBI
CHEBI:83515- UNII
- CTZ715OQFA
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 24,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 154
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticides -> Insecticides -> Formamidine insecticides -> Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
LogP2.92
Physikochemische Eigenschaften
- Siedepunkt
- 272.4 · 272.4±50.0 °C(Predicted)
- Dichte
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- Aggregatzustand
- crystalline
- pka
- 9.65 · 9.65±0.50(Predicted)
- BRN
- 1210087 · 1210087
- Major Application
- pharmaceutical
- InChI
- 1S/C10H14N2.ClH/c1-8-4-5-10(9(2)6-8)12-7-11-3;/h4-7H,1-3H3,(H,11,12);1H
- InChIKey
- VXSNJXDZTGFDMB-UHFFFAOYSA-N
- SMILES
- CN\C=N\c1ccc(C)cc1C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2925294500
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticides -> Insecticides -> Formamidine insecticides -> Transformation products
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
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