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1353501-22-0

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1353501-22-0 Structure

1353501-22-0 Structure
IdentificationBack Directory
[Name]

benzyl ((1s,3s)-3-(methylamino)cyclobutyl)carbamate
[CAS]

1353501-22-0
[Synonyms]

Abrocitinib Impurity 1
Abrocitinib Related Compound 1
Benzyl (cis-3-(methylamino)cyclobutyl)carbamate
benzyl cis-N-[3-(methylamino)cyclobutyl]carbamate
benzyl ((1s,3s)-3-(methylamino)cyclobutyl)carbamate
benzyl N-[(1s,3s)-3-(methylamino)cyclobutyl]carbamate
benzyl ((1s,3s)-3-(methylamino)cyclobutyl)carbamate hydrochloride
Carbamic acid, N-[cis-3-(methylamino)cyclobutyl]-, phenylmethyl ester
[Molecular Formula]

C13H18N2O2
[MDL Number]

MFCD23699319
[MOL File]

1353501-22-0.mol
[Molecular Weight]

234.29
Chemical PropertiesBack Directory
[Boiling point ]

386.7±41.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[form ]

solid
[pka]

12.18±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C13H18N2O2/c1-14-11-7-12(8-11)15-13(16)17-9-10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3,(H,15,16)/t11-,12+
[InChIKey]

DRROTPCCFFMHNX-TXEJJXNPSA-N
[SMILES]

C(OCC1=CC=CC=C1)(=O)N[C@@H]1C[C@H](NC)C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

benzyl ((1s,3s)-3-(methylamino)cyclobutyl)carbamate(1353501-22-0)1HNMR
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