CAS 49637-21-0 4-(Pyrrolidin-1-yl)butanoic acid hydrochloride (HCID 14855682)

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Basic information

CAS: 49637-21-0
Standard SMILES: Cl.O=C(O)CCCN1CCCC1
InChIKey: ZEWPJQOFVHRHKN-UHFFFAOYSA-N
Molecular formula: C8H16ClNO2
Average molar mass: 193.67 g/mol
Monoisotopic mass: 193.08695643

Names & identifiers

Preferred name: 4-(Pyrrolidin-1-yl)butanoic acid hydrochloride
IUPAC: 4-pyrrolidin-1-ylbutanoic acid;hydrochloride
English name: 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE
Molecular formula: C8H16ClNO2
Molecular weight: 193.67

Names & synonyms

4-(pyrrolidin-1-yl)butanoic acid hydrochlorideRefChem:516877837-769-449637-21-04-Pyrrolidin-1-yl-butyric acid hydrochloride4-pyrrolidin-1-ylbutanoic acid;hydrochlorideMFCD068012754-(1-Pyrrolidinyl)butanoic acid hydrochloride1-Pyrrolidinebutyric Acid HydrochlorideCHEMBL32343531-Pyrrolidinebutanoic acid, hydrochlorideSCHEMBL946654

Show more names

PYRROLIDIN-1-YLBUTANOIC ACID HYDROCHLORIDE

1-Pyrrolidinebutyric Acid HClDTXSID90564742Pyrrolidin-1-ylbutanoic acid HClTQP0305ZEWPJQOFVHRHKN-UHFFFAOYSA-NAKOS0169043144-(Pyrrolidin-1-yl)butanoic Acid HClBS-38166

Database identifiers

CAS: 49637-21-0
PubChem CID: 14855682
DTXSID: DTXSID90564742
ChEMBL: CHEMBL3234353
EC Number: 837-769-4

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Applications

Uses1-Pyrrolidinebutyric Acid Hydrochloride is used in biological studies in the preparation of betaine analogs of mildronate as inhibitors of γ-butyrobetaine hydroxylase, and crystal structures of BBOX-inhibitor complexes.