Tert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate

HCID 57419605CAS 569667-93-2

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Basic information

Standard SMILES: CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIKey: LAAAMOQBIKIHLV-UHFFFAOYSA-N
Molecular formula: C12H22N2O4
Average molar mass: 258.31 g/mol

Names & identifiers

Preferred name: Tert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
English name: TERT-BUTYL 3-(METHOXY(METHYL)CARBAMOYL)PYRROLIDINE-1-CARBOXYLATE
Molecular formula: C12H22N2O4
Molecular weight: 258.31

Names & synonyms

569667-93-2TERT-BUTYL 3-(METHOXY(METHYL)CARBAMOYL)PYRROLIDINE-1-CARBOXYLATEtert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylateRefChem:893125965-060-0MFCD11975774N-Methoxy-N-methyl-1-Boc-pyrrolidine-3-carboxamidetert-butyl 3-(N-methoxy-N-methylcarbamoyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-[(methoxymethylamino)carbonyl]-,1,1-dimethylethyl ester3-(methoxy-methyl-carbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester1-Boc-N-methoxy-N-methylpyrrolidine-3-carboxamideSCHEMBL389962

Show more names

Tert-Butyl 3-(Methoxy(Methyl)Carbamoyl)Pyrrolidine-1-Carboxylate(WXC00691)

LAAAMOQBIKIHLV-UHFFFAOYSA-NAKOS026745990SB48284AS-74215SY126564DB-299113CS-0039022EN300-7397701

Database identifiers

CAS: 569667-93-2
PubChem CID: 57419605
EC Number: 965-060-0

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 59.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 325

Physicochemical properties

Boiling point: 326.205 · 326.205±52.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.131 · 1.131±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Store at Room Tem.
pka: -2.674 · -2.674±0.40(predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501