2-(Pyrrolidin-1-yl)acetic acid hydrochloride

HCID 13022016CAS 6628-74-6

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.O=C(O)CN1CCCC1
InChIKey: HIGULTVOVROJID-UHFFFAOYSA-N
Molecular formula: C6H12ClNO2
Average molar mass: 165.62 g/mol
Monoisotopic mass: 165.0556563

Names & identifiers

Preferred name: 2-(Pyrrolidin-1-yl)acetic acid hydrochloride
IUPAC: 2-pyrrolidin-1-ylacetic acid;hydrochloride
English name: 2-pyrrolidin-1-ylacetic acid
Molecular formula: C6H12ClNO2
Molecular weight: 165.62

Names & synonyms

2-(Pyrrolidin-1-Yl)Acetic Acid HydrochlorideRefChem:462186811-498-16628-74-6Pyrrolidin-1-yl-acetic acid hydrochloridepyrrolidin-1-ylacetic acid hydrochloride(pyrrolidin-1-yl)acetic acid hydrochloride2-pyrrolidin-1-ylacetic acidMFCD068012742-pyrrolidin-1-ylacetic acid;hydrochlorideNSC108221NSC-108221

Show more names

2-(Pyrrolidin-1-yl)Eravacycline intermediate E1-Pyrrolidineacetic acid(HCl)Pyrrolidin-1-yl-acetic acid, HClCinepazide Impurity 20 Hydrochloride2- (1-pyrrolidinyl) acetic acid (HCl)(4,5-diphenyl-1,3-oxazol-2-yl)hydrazineEravacycline Impurity 22(Hydrochloride)

EN300-41375F21166Pyrrolidin-1-yl-acetic acid hydrochloride, AldrichCPR1-Pyrrolidineacetic acid, hydrochloride2-(pyrrolidin-1-yl)acetic acid HCl2-(pyrrolidin-1-yl)aceticacidhydrochlorideSCHEMBL1375922DTXSID40515421

Database identifiers

CAS: 6628-74-6
PubChem CID: 13022016
DTXSID: DTXSID40515421
EC Number: 811-498-1

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
form: solid
Appearance: White to off-white Solid
InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H
InChIKey: HIGULTVOVROJID-UHFFFAOYSA-N
SMILES: C(N1CCCC1)C(=O)O.Cl
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338
Risk Statements: 41 · 41-36/37/38
Safety Statements: 39 · 39-45-36/37/39-26-22-3/7
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 1 · Eye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.