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PC31493 structure
PC31493 structure

PC31493

Iupac Name:(3S)-5-methyl-3-(methylaminomethyl)hexanoic acid
CAS No.:1155843-61-0
Molecular Weight:173
1. Names and Identifiers
1.1 Name
PC31493
1.2 Synonyms

DB-026672 mfcd00119704 ZINC159302 zx-ap012850

1.3 CAS No.
1155843-61-0
1.4 CID
29984342
1.5 Molecular Formula
C20H29N3O6S (isomer)
1.6 Inchi
InChI=1S/C9H19NO2/c1-7(2)4-8(6-10-3)5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
1.7 InChkey
MADUVMLGQASXOK-QMMMGPOBSA-N
1.8 Canonical Smiles
CC(C)CC(CC(=O)O)CNC
1.9 Isomers Smiles
CC(C)C[C@@H](CC(=O)O)CNC
2. Properties
2.1 Melting Point
93-96°C
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