3-cyclopropyl-1-methyl-1H-pyrazol-5-amine

HCID 2735311

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Basic information

CAS: 118430-74-3
Standard SMILES: Cn1nc(C2CC2)cc1N
InChIKey: YWHWPIRLFHZSFS-UHFFFAOYSA-N
Molecular formula: C7H11N3
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.09529736

Names & identifiers

Preferred name: 3-cyclopropyl-1-methyl-1H-pyrazol-5-amine
IUPAC: 3-cyclopropyl-1-methylpyrazol-5-amine
English name: 3-CYCLOPROPYL-1-METHYL-1H-PYRAZOL-5-AMINE
Molecular formula: C7H11N3
Molecular weight: 137.18

Names & synonyms

3-cyclopropyl-1-methyl-1H-pyrazol-5-amine118430-74-3DTXSID40370673RefChem:278846DTXCID00321707672-787-45-cyclopropyl-2-methylpyrazol-3-amineMFCD000679841H-Pyrazol-5-amine, 3-cyclopropyl-1-methyl-5-Amino-3-cyclopropyl-1-methylpyrazole5-amino-3-cyclopropyl-1-methyl-1h-pyrazole3-cyclopropyl-1-methylpyrazole-5-ylamine

Show more names

3-Cyclopropyl-1-methyl-1H-pyrazole-5-amine

SCHEMBL574082TIMTEC-BB SBB005491AKOS B024541BUTTPARK 47\08-28YWHWPIRLFHZSFS-UHFFFAOYSA-NART-CHEM-BB B024541TEA43074SBB005491

Database identifiers

CAS: 118430-74-3
PubChem CID: 2735311
DTXSID: DTXSID40370673
EC Number: 672-787-4
Nikkaji: J764.554F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Physicochemical properties

Melting point: 123 · 123-126°C
Boiling point: 299.2 · 299.2±28.0 °C(Predicted)
Density: 1.37 · 1.37±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 4.58 · 4.58±0.10(Predicted)
form: crystalline solid
color: Light orange
CAS DataBase Reference: 118430 · 118430-74-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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.