CAS 141459-53-2 1-tert-Butyl-3-methyl-1H-pyrazol-5-amine (HCID 737200)

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Basic information

CAS: 141459-53-2
Standard SMILES: Cc1cc(N)n(C(C)(C)C)n1
InChIKey: CMPRMWFPGYBHTQ-UHFFFAOYSA-N
Molecular formula: C8H15N3
Average molar mass: 153.22 g/mol
Monoisotopic mass: 153.12659748

Names & identifiers

Preferred name: 1-tert-Butyl-3-methyl-1H-pyrazol-5-amine
IUPAC: 2-tert-butyl-5-methylpyrazol-3-amine
English name: 1-(tert-Butyl)-3-methyl-1H-pyrazol-5-ylamine
Molecular formula: C8H15N3
Molecular weight: 153.22

Names & synonyms

141459-53-21-tert-butyl-3-methyl-1H-pyrazol-5-amineDTXSID10353195RefChem:235401DTXCID60304258673-593-21-(tert-butyl)-3-methyl-1H-pyrazol-5-amine1-(tert-butyl)-3-methyl-1h-pyrazol-5-ylamine2-tert-butyl-5-methylpyrazol-3-amineMFCD001227315-Amino-1-(tert-butyl)-3-methyl-1H-pyrazole1-(1,1-dimethylethyl)-3-methyl-1H-pyrazol-5-amine

Show more names

108403BUTTPARK 30\03-895-AMINO-1-tert-BUTYL-3-METHYLPYRAZOLE1-tert-butyl-3-methyl pyrazol-5-ylamine5-AMino-1-tert-butyl-3-Methyl-1H-pyrazole5-Methyl-2-tert-butyl-2H-pyrazol-3-ylamine2-TERT-BUTYL-5-METHYL-2H-PYRAZOL-3-YLAMINE

1-(tert-butyl)-3-methylpyrazole-5-ylamine5-amino-1-t-butyl-3-methylpyrazole1H-Pyrazol-5-amine, 1-(1,1-dimethylethyl)-3-methyl-5-amino-3-methyl-1-tert-butylpyrazoleEnamine_002453ChemDiv2_003007SCHEMBL399615CMPRMWFPGYBHTQ-UHFFFAOYSA-N

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Physicochemical properties

Melting point: 65 · 65-67°C
Boiling point: 259.7 · 259.7±20.0 °C(Predicted)
Density: 1.04 · 1.04±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 4.7 · 4.70±0.10(Predicted)
form: solid
Appearance: Off-white to yellow Solid
InChI: 1S/C8H15N3/c1-6-5-7(9)11(10-6)8(2,3)4/h5H,9H2,1-4H3
InChIKey: CMPRMWFPGYBHTQ-UHFFFAOYSA-N
SMILES: Cc1cc(N)n(n1)C(C)(C)C
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: T

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (25%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Sol. 2 (25%)

Safety data

wgk: WGK 3
hs_code: 2933199090
risk_code: 36/37/38-25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H317-H319
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P280-P305+P351+P338