CAS 3528-58-3 1-Ethyl-1H-pyrazol-5-amine (HCID 337310)

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Basic information

CAS: 3528-58-3
Standard SMILES: CCn1nccc1N
InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
Molecular formula: C5H9N3
Average molar mass: 111.15 g/mol
Monoisotopic mass: 111.0796473

Names & identifiers

Preferred name: 1-Ethyl-1H-pyrazol-5-amine
IUPAC: 2-ethylpyrazol-3-amine
English name: 5-Amino-1-ethylpyrazole
Molecular formula: C5H9N3
Molecular weight: 111.15

Names & synonyms

1-Ethyl-1H-pyrazol-5-amineDTXSID40320092RefChem:432341DTXCID20271215609-110-93528-58-35-Amino-1-ethylpyrazole1-Ethyl-5-aminopyrazole2-ethylpyrazol-3-amine1H-Pyrazol-5-amine, 1-ethyl-MFCD00010849C5H9N3

Show more names

AKOS B024267ART-CHEM-BB B024267TIMTEC-BB SBB0055545-Amino-1-ethylpyrazol1-ethy-pyrazol-5-aMine2-ethyl-3-pyrazolamine2-Amino-1-ethylpyrazole

NSC 354694Pyrazole, 5-amino-1-ethyl-5-Amino-1-ethyl-1H-pyrazole2-Ethyl-2H-pyrazol-3-ylamine1-Ethyl-1H-pyrazol-5-amine #PB15601AS-198021-ethylpyrazole-5-ylamine

Database identifiers

CAS: 3528-58-3
PubChem CID: 337310
DTXSID: DTXSID40320092
EC Number: 609-110-9
Nikkaji: J456.557F

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 74

Physicochemical properties

Melting point: 52 · 52-57 °C (lit.)
Boiling point: 92 · 92-94 °C/0.01 mmHg (lit.)
Density: 1.0671 · 1.0671 (rough estimate)
refractive index: 1.534 · 1.5340 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 4.18 · 4.18±0.10(Predicted)
Appearance: Off-white to light yellow Solid
InChI: 1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3
InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
SMILES: CCn1nccc1N
CAS DataBase Reference: 3528 · 3528-58-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 54 reports by companies from 7 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.