6-Nonyl-1,3,5-triazine-2,4-diamine

HCID 22209

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Basic information

CAS: 5921-65-3
Standard SMILES: CCCCCCCCCc1nc(N)nc(N)n1
InChIKey: BDPPZSFVSOBOIX-UHFFFAOYSA-N
Molecular formula: C12H23N5
Average molar mass: 237.34 g/mol
Monoisotopic mass: 237.19534575

Names & identifiers

Preferred name: 6-Nonyl-1,3,5-triazine-2,4-diamine
IUPAC: 6-nonyl-1,3,5-triazine-2,4-diamine
English name: 2,4-Diamino-6-nonyl-1,3,5-triazine
Molecular formula: C12H23N5
Molecular weight: 237.34

Names & synonyms

6-Nonyl-1,3,5-triazine-2,4-diamine5921-65-3EINECS 227-645-2DTXSID40207955NSC 254526RefChem:105106DTXCID90130446227-645-22,4-DIAMINO-6-NONYL-1,3,5-TRIAZINE6-NonylguanamineCaprinoguanamineNSC254526

Show more names

6-Nonylguanamine Caprinoguanamine5921-65-3 2,4-DIAMINO-6-NONYL-1,3,5-TRIAZINE

1,3,5-Triazine-2,4-diamine, 6-nonyl-s-Triazine, 2,4-diamino-6-nonyl-MFCD03428355NSC-2545262,4-DIAMINO-6-NONYL-S-TRIAZINE6-Nonylguanamine_x000D_SCHEMBL37914479RV92H3TQ

Database identifiers

CAS: 5921-65-3
PubChem CID: 22209
DTXSID: DTXSID40207955
UNII: 79RV92H3TQ
EC Number: 227-645-2
Nikkaji: J223.883G

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 178

Physicochemical properties

Boiling point: 453.9 · 453.9±28.0 °C(Predicted)
Density: 1.068 · 1.068±0.06 g/cm3(Predicted)
vapor pressure: 0 Pa · 0Pa at 25℃
storage temp.: 2 · 2-8°C
pka: 4.46 · 4.46±0.10(Predicted)
Appearance: White to off-white Solid
Water Solubility: 7.317 mg/L · 7.317mg/L at 25℃
InChI: InChI=1S/C12H23N5/c1-2-3-4-5-6-7-8-9-10-15-11(13)17-12(14)16-10/h2-9H2,1H3,(H4,13,14,15,16,17)
InChIKey: BDPPZSFVSOBOIX-UHFFFAOYSA-N
SMILES: N1=C(CCCCCCCCC)N=C(N)N=C1N
LogP: 3.83 at · 3.83 at 20℃
FDA UNII: 79 RV92H3TQ · 79RV92H3TQ
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 410 · H410-H400
Precautionary statements: 273 · P273-P391-P501-P273-P391-P501
REACH Registrations: Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: 6-nonyl-1,3,5-triazine-2,4-diamine (EC: 227-645-2)

Hazard Classes and CategoriesAquatic Acute 1 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS09
Hazard statements: H410-H400
REACH Registrations: Active
Precautionary statements: P273-P391-P501-P273-P391-P501

Chemistry & industry

Applications

Uses6-Nonyl-1,3,5-triazine-2,4-diamine is a useful research chemical compound used in the preparation of antiinflammatory 2,4-diamino-6-substituted-s-triazines.

Suppliers31 total

山东玖玥生物科技有限公司15553333686 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

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