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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Vitamins, Amino Acids and Coenzymes  /  Organic Intermediates
1,3-Propanediamine, N-(5-chloro-2-methylphenyl)-N'-ethyl- structure
1,3-Propanediamine, N-(5-chloro-2-methylphenyl)-N'-ethyl- structure

1,3-Propanediamine, N-(5-chloro-2-methylphenyl)-N'-ethyl-

Iupac Name:2-(4-cyanoanilino)acetic acid
CAS No.:42288-26-6
Molecular Weight:176.17202
1. Names and Identifiers
1.1 Name
1,3-Propanediamine, N-(5-chloro-2-methylphenyl)-N'-ethyl-
1.2 CAS No.
42288-26-6
1.3 CID
817965
1.4 Molecular Formula
C22H19N3O (isomer)
1.5 Inchi
InChI=1S/C9H8N2O2/c10-5-7-1-3-8(4-2-7)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)
1.6 InChkey
KJRQMXRCZULRHF-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC(=CC=C1C#N)NCC(=O)O
1.8 Isomers Smiles
C1=CC(=CC=C1C#N)NCC(=O)O
2. 3D Conformer
3. Properties
3.1 Refractive Index
1.593
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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