2-Amino-4-methoxy-6-methyl-1,3,5-triazine (HCID 15466)

Überblick

2-methyl-4-amino-6-methoxy-s-triazine is a monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl. It has a role as a marine xenobiotic metabolite. It is an aromatic ether and a monoamino-1,3,5-triazine.

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-methoxy-6-methyl-1,3,5-triazine
IUPAC: 4-methoxy-6-methyl-1,3,5-triazin-2-amine
Lokaler Name: 4-Methoxy-6-methyl-1,3,5-triazin-2-amin
Englischer Name: 2-Amino-4-methoxy-6-methyl-1,3,5-triazine
Summenformel: C5H8N4O
Molmasse: 140.14

Namen und Synonyme

2-Amino-4-methoxy-6-methyl-1,3,5-triazine1668-54-84-Methoxy-6-methyl-1,3,5-triazin-2-amine1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-CV 399DTXSID4041230s-Triazine, 2-amino-4-methoxy-6-methyl-395VJ06RC4DTXCID2021230CV-399RefChem:464315216-790-7

Weitere Namen anzeigen

2-amino-4-methoxy-6-methyl-s-triazin2-Amino-4-methyl-6-methoxy-s-triazine2-AMINO-4-METHOXY-6-METHYL-1,3,5-TRIAZINcv399CGA-150829Homotriazine2-AMino-4-Meth-1,3,5-triazine

2-Methyl-4-amino-6-methoxy-s-triazine2-Amino-4-methyl-6-methoxy-1,3,5-triazineMFCD00052764Triazine amine (IN-A4098)AE F0594112-amino-4-methoxy-6methyl-1,3,5-triazine2-amino-4-methoxy6-methyl-1,3,5-triazine2-AMINO-4-METHOXY-6-METHYL-S-TRIAZINE

Datenbank-Bezeichner

CAS: 1668-54-8
PubChem CID: 15466
DTXSID: DTXSID4041230
ChEMBL: CHEMBL3188290
ChEBI: CHEBI:83511
UNII: 395VJ06RC4
EC Number: 216-790-7
Nikkaji: J195.307I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 73,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Experimentelle und physikochemische Eigenschaften

Pesticides · 2 Einträge

Pesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides -> Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Physical DescriptionCBI

Collision Cross Section123.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4041230]

Physikochemische Eigenschaften

Schmelzpunkt: 258 · 258-261 °C(lit.)
Siedepunkt: 114 ℃ · 114℃
Dichte: 1.2945 · 1.2945 (rough estimate)
Brechungsindex: 1.83 · 1.8300 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly)
Aggregatzustand: Solid
pka: 3.65 · 3.65±0.10(Predicted)
Farbe: White to Light Yellow
InChI: InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
InChIKey: NXFQWRWXEYTOTK-UHFFFAOYSA-N
SMILES: N1=C(C)N=C(OC)N=C1N
CAS Datenbank: 1668 · 1668-54-8(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- (1668-54-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Regulation (EC) No 1107/2009 (amended)

1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
hs_code: 29336990
RTECS-Nr.: XY3193000
risk_code: 22-36/37/38
Toxizität: LD50 oral in mouse: 1010mg/kg
hazard_code: Xn
safety_code: 26-36-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 250,000 - <550,000 lb

Industry UsesIntermediates

Use Classification · 2 Einträge

Pesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides -> Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information · 2 Einträge

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-: ACTIVE

Anwendungen

Verwenden2-Amino-4-methoxy-6-methyl-1,3,5-triazine may be used in the synthesis of thifensulfuron.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl.

Zugehörige Reaktionen

105

Reaktionsaufzeichnung erstellen

HRID 4135als Eduktuspto-grants-1988_02

HRID 96445als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 97172als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118304als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 147192als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 236530als Eduktuspto-grants-1987_02

HRID 236534als Eduktuspto-grants-1987_02

HRID 247469als Eduktuspto-grants-1987_11

Verknüpfte Notizen

Wird geladen…

4-Methoxy-6-methyl-1,3,5-triazin-2-amin

Grundinformationen