1-Aminopyrrolidin-2-one hydrochloride

HCID 21992845

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Basic information

CAS: 20386-22-5
Standard SMILES: Cl.NN1CCCC1=O
InChIKey: NYPFNJOTVWTWAF-UHFFFAOYSA-N
Molecular formula: C4H9ClN2O
Average molar mass: 136.58 g/mol
Monoisotopic mass: 136.0403406

Names & identifiers

Preferred name: 1-Aminopyrrolidin-2-one hydrochloride
IUPAC: 1-aminopyrrolidin-2-one;hydrochloride
English name: 1-aminopyrrolidin-2-one hydrochloride
Molecular formula: C4H9ClN2O
Molecular weight: 136.58

Names & synonyms

1-AMINOPYRROLIDIN-2-ONE HYDROCHLORIDERefChem:429452959-340-120386-22-51-AMINOPYRROLIDIN-2-ONE HCLMFCD092588921-aminopyrrolidin-2-one;hydrochloride1-amino-2-pyrrolidinone hydrochloride2-Pyrrolidinone, 1-amino-, hydrochloride (1:1)N-Amino-2-pyrrolidinone hydrochloride1-aminopyrrolidinone hydrochloride2-Pyrrolidinone, 1-amino-, monohydrochloride

Show more names

1-aMinopyrrolidin-2-one.HCl(2-oxopyrrolidin-1-yl)azanium1-aminopyrolidine-2-onehydrochloride2-Pyrrolidinone, 1-aMino-, hydrochloride1-Aminopyrrolidin-2-one hydrochloride (1:1)1-amino-2-Pyrrolidinone hydrochloride (1:1)

1-Amino-2-pyrrolidinone Hydrochloride; 1-Amino-2-pyrrolidinone Monohydrochloride; 1-Aminopyrrolidin-2-one Hydrochloride; N-Amino-2-pyrrolidinone Hydrochloride1-aminopyrrolidin-2-onehydrochloride2-PySCHEMBL2526119DTXSID30621303NYPFNJOTVWTWAF-UHFFFAOYSA-NCS-D0019AKOS015958429

Database identifiers

CAS: 20386-22-5
PubChem CID: 21992845
DTXSID: DTXSID30621303
EC Number: 959-340-1

Properties

Computed structural properties

Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 91

Physicochemical properties

Melting point: 154 · 154-157 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form: Solid
color: White to Pale Beige
CAS DataBase Reference: 20386 · 20386-22-5
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: 2914390090 · 2914390090

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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2914390090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1-Aminopyrrolidin-2-one Hydrochloride is used for the optimization of dihydropyrrolopyrazole series for transforming the growth factor-β type I receptor kinase domain inhibitor and also for the discovery of an orally bioavailable antitumor agent.