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N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-chloroacetamide structure
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-chloroacetamide structure

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-chloroacetamide

Iupac Name:1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CAS No.:103285-22-9
Molecular Weight:560.59
1. Names and Identifiers
1.1 Name
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-chloroacetamide
1.2 Synonyms

Acetamide, N-[1-(2-benzothiazolyl)-4-piperidinyl]-2-chloro- N-(1-Benzothiazol-2-yl-piperidin-4-yl)-2- chloro-acetaMide, 98+% C14H16ClN3OS, MW: 309.82 N-[1-(2-Benzothiazolyl)-4-piperidinyl]-2-chloroacetamide

1.3 CAS No.
103285-22-9
1.4 CID
11039002
1.5 Molecular Formula
C6H7BRCLN (isomer)
1.6 Inchi
InChI=1S/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27-,28-,29-/m1/s1
1.7 InChkey
MFDHAVFJDSRPKC-YXINZVNLSA-N
1.8 Canonical Smiles
COC1C(C(OC1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
1.9 Isomers Smiles
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
2. 3D Conformer
3. Properties
3.1 Density
1.617
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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