4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine

HCID 25658249

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Basic information

CAS: 297172-18-0
Standard SMILES: Cn1cnnc1C1CCNCC1
InChIKey: LBGLYAJNIDZGGO-UHFFFAOYSA-N
Molecular formula: C8H14N4
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.12184646

Names & identifiers

Preferred name: 4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
IUPAC: 4-(4-methyl-1,2,4-triazol-3-yl)piperidine
English name: 5-(Piperidin-4-yl)-4-methyl-4H-1,2,4-triazole
Molecular formula: C8H14N4
Molecular weight: 166.22

Names & synonyms

297172-18-04-(4-methyl-4H-1,2,4-triazol-3-yl)piperidineDTXSID80649734RefChem:288138DTXCID606004844-(4-methyl-1,2,4-triazol-3-yl)piperidineMFCD09055373Piperidine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-4-(4-methyl-4H-[1,2,4]triazol-3-yl)-piperidine4-(4-Methyl-4H-124-triazol-3-yl)piperidineSCHEMBL239491SCHEMBL4013880

Show more names

4-(4-Methyl-4H-1,2,4-triazol-3-yl)4-(4-Methyl-1,2,4-triazol-3-yl)piperidi5-(Piperidin-4-yl)-4-methyl-4H-1,2,4-triazole4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine HBr4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine(SALTDATA: 2HCl H2O)4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine Dihydrochloride Hydrate

LBGLYAJNIDZGGO-UHFFFAOYSA-NAKOS009186576CCG-211294SB41441DS-14014SY101592EN300-31837C74525

Database identifiers

CAS: 297172-18-0

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 42.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 331 · 331.0±52.0 °C(Predicted)
Density: 1.29 · 1.29±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.84 · 9.84±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；STOT SE 3 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Suppliers40 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

1 records

New reaction record

HRID 2190566As reactantuspto-grants-2012_12

Compound notes

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