CAS 316141-37-4 tert-Butyl 2-ethynylpyrrolidine-1-carboxylate (HCID 14730283)

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Basic information

CAS: 316141-37-4
Standard SMILES: C#CC1CCCN1C(=O)OC(C)(C)C
InChIKey: MKFYNQAKTJFISL-UHFFFAOYSA-N
Molecular formula: C11H17NO2
Average molar mass: 195.26 g/mol
Monoisotopic mass: 195.12592878

Names & identifiers

Preferred name: tert-Butyl 2-ethynylpyrrolidine-1-carboxylate
IUPAC: tert-butyl 2-ethynylpyrrolidine-1-carboxylate
English name: 1-Pyrrolidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester
Molecular formula: C11H17NO2
Molecular weight: 195.26

Names & synonyms

316141-37-4TERT-BUTYL 2-ETHYNYLPYRROLIDINE-1-CARBOXYLATEDTXSID40563402RefChem:892593DTXCID60514178833-955-41-Boc-2-EthynylpyrrolidineMFCD120321421-Pyrrolidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester1-(tert-butoxycarb1-(tert-butoxycarbonyl)-2-ethynylpyrrolidineBoc-2-ethynyl-pyrrolidine

Show more names

1-N-Boc-2-ethynylpyrolidine(R)-N-tert-Butoxycarbonyl-2-ethynylpyrrolidine1,1-Dimethylethyl 2-ethynyl-1-pyrrolidinecarboxylatetert-butyl 2-ethynylpyrrolidine-1-carboxylate - [E23008]

SCHEMBL889059MKFYNQAKTJFISL-UHFFFAOYSA-NRMA14137AKOS016001558AB61428AB61433CS-W006717SB11761

Database identifiers

CAS: 316141-37-4
PubChem CID: 14730283
DTXSID: DTXSID40563402
EC Number: 833-955-4
Nikkaji

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 269

Physicochemical properties

Boiling point: 249 ℃ · 249℃
Density: 1.04 · 1.04
Flash point: 104 ℃ · 104℃
storage temp.: 2 · 2-8°C
pka: -3.16 · -3.16±0.40(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362