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2-Pentanone, 5-[2-(hydroxymethyl)phenyl]-4-phenyl- structure
2-Pentanone, 5-[2-(hydroxymethyl)phenyl]-4-phenyl- structure

2-Pentanone, 5-[2-(hydroxymethyl)phenyl]-4-phenyl-

Iupac Name:2-[[(2R)-butan-2-yl]amino]-4-N-[8-[5-(cyclopropanecarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylbenzene-1,4-dicarboxamide
CAS No.:1149705-71-4
Molecular Weight:503.63578
1. Names and Identifiers
1.1 Name
2-Pentanone, 5-[2-(hydroxymethyl)phenyl]-4-phenyl-
1.2 CAS No.
1149705-71-4
1.3 CID
57748689
1.4 Molecular Formula
C16H16FN5OS (isomer)
1.5 Inchi
InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20?,21?,22?/m1/s1
1.6 InChkey
LHGWWAFKVCIILM-LAQKFSSHSA-N
1.7 Canonical Smiles
CCC(C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N
1.8 Isomers Smiles
CC[C@@H](C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N
2. Properties
2.1 Boiling Point
498.654°C at 760 mmHg
3. 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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