CAS 184719-80-0 tert-butyl (2R)-pyrrolidine-2-carboxylate hydrochloride (HCID 44629909)

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Basic information

CAS: 184719-80-0
Standard SMILES: CC(C)(C)OC(=O)[C@H]1CCCN1.Cl
InChIKey: IUUYANMOEMBTBV-OGFXRTJISA-N
Molecular formula: C9H18ClNO2
Average molar mass: 207.7 g/mol
Monoisotopic mass: 207.1026065

Names & identifiers

Preferred name: tert-butyl (2R)-pyrrolidine-2-carboxylate hydrochloride
IUPAC: tert-butyl (2R)-pyrrolidine-2-carboxylate;hydrochloride
English name: D-PROLINE TERT-BUTYL ESTER HYDROCHLORIDE
Molecular formula: C9H18ClNO2
Molecular weight: 207.7

Names & synonyms

TERT-BUTYL (2R)-PYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDERefChem:891652678-453-4184719-80-0(R)-tert-Butyl pyrrolidine-2-carboxylate hydrochlorideD-Proline tert-Butyl Ester HydrochlorideH-D-Pro-OtBu.HClMFCD00153460H-D-PRO-OTBU HCLh-d-pro-ptbu.hcltert-Butyl D-prolinate hydrochlorideD-proline t-butyl ester hydrochloride

Show more names

D-Pro-Obut.HCLH-D-Pro-OtBu. HCl ForMD-Proline tert-butyl ester HClD-Prolinetert-ButylEsterHydrochloride>D-PROLINE TERT-BUTYL ESTER HYDROCHLORIDE USP/EP/BPD-Prolinetert-butyl ester hydrochloride≥ 98% (HPLC)ert-butyl(2R)-pyrrolidine-2-carboxylate,hydrochloride

D-Proline, 1,1-dimethylethyl ester, hydrochlorideSCHEMBL596114tert-butyl (2R)-pyrrolidine-2-carboxylate;hydrochloride(R)-tert-Butyl pyrrolidine-2-carboxylate HClAKOS015847182(R)-tert-Butylpyrrolidine-2-carboxylatehydrochlorideH-D-Pro-otbu hydrochlorideEN300-175765

Database identifiers

Properties

Computed structural properties

Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 172

Physicochemical properties

Melting point: 94 °C · 94 °C
refractive index: 31 ° · 31 ° (C=1, H2O)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Water Solubility: Soluble in water
form: powder to crystal
color: White to Almost white
CAS DataBase Reference: 184719 · 184719-80-0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933.99 · 2933.99.9701

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)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.