2-Amino-4,6-dimethoxy-1,3,5-triazine

HCID 27840CAS 16370-63-1

Substructure search Find similar structures

Basic information

Standard SMILES: COc1nc(N)nc(OC)n1
InChIKey: KVHFZZUPCXCRIX-UHFFFAOYSA-N
Molecular formula: C5H8N4O2
Average molar mass: 156.14 g/mol
Monoisotopic mass: 156.0647255

Overview

See also: 4,6-Dimethoxy-(1,3,5)triazin-2-ylamine (annotation moved to).

Names & identifiers

Preferred name: 2-Amino-4,6-dimethoxy-1,3,5-triazine
IUPAC: 4,6-dimethoxy-1,3,5-triazin-2-amine
English name: 2-Amino-4,6-dimethoxy-1,3,5-triazine
Molecular formula: C5H8N4O2
Molecular weight: 156.14

Names & synonyms

2-amino-4,6-dimethoxy-1,3,5-triazineDTXSID10274836RefChem:1062173DTXCID3022629116370-63-14,6-dimethoxy-1,3,5-triazin-2-aminedimethoxy-1,3,5-triazin-2-amine1,3,5-Triazin-2-amine, 4,6-dimethoxy-MFCD000527652-Amino-46-dimethoxy-135-triazineNSC1002844,6-dimethoxy-1,3,5-triazine-2-amine

Show more names

1,3,5-TRIAZIN-2-AMINE,4,6-DIMETHOXY2-Amino-4,6-dimethoxy-1,3,5-triazine98%2-Amino-4,6-dimethoxy-1,3,5-triazine 98%

Maybridge1_006177SCHEMBL1576395SCHEMBL2876930HMS559A17KVHFZZUPCXCRIX-UHFFFAOYSA-NCCG-42729SBB052030AKOS009157827

Database identifiers

CAS: 16370-63-1
PubChem CID: 27840
DTXSID: DTXSID10274836
Nikkaji: J1.186.436H

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 83.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 111

Physicochemical properties

Melting point: 220 · 220-222
Boiling point: 338.8 · 338.8±25.0 °C(Predicted)
Density: 1.307 · 1.307±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.76 · 3.76±0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C5H8N4O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9)
InChIKey: KVHFZZUPCXCRIX-UHFFFAOYSA-N
SMILES: N1=C(OC)N=C(OC)N=C1N
CAS DataBase Reference: 16370 · 16370-63-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2933698090 · 2933698090

Safety & regulation

Safety data

hs_code: 2933698090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-Amino-4,6-dimethoxy-1,3,5-triazine is used as an intermediate of the sulfonylurea herbicide ethersulfuron.

Upstream & downstream products

Upstream raw materials

Suppliers43 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Syntechem Co.,Ltd[email protected]

Related reactions

87 records

New reaction record

HRID 96500As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98457As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 100273As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 100817As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110271As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 150273As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 179810As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 196066As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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