4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine | CAS No. 749886-87-1

4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine

Basic Information

CAS Number

749886-87-1

Molecular Formula

C16H20N2

Molecular Weight

240.35 g/mol

AD

Basic Physical Properties

Melting Point

101.0 to 105.0 deg-C

Boiling Point

418.7±40.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Flash Point

245.0±30.9 °C

Solubility

DMSO: >10mg/mL

Vapor Pressure

0.0±1.0 mmHg at 25°C

CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2)N

InChI

InChI=1S/C16H20N2/c1-13-9-10-16(15(17)12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3

InChIKey

YMFNPBSZFWXMAD-UHFFFAOYSA-N

LogP

3.621920000000002

Topological Polar Surface Area

38.05 Ų

Hydrogen Bond Donor/Acceptor

3 / 2

Complexity

223

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H318 Causes serious eye damage
Serious eye damage/eye irritation
H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

  • NFKB-activation-inhibitor-II
  • CHEBI:131326
  • 749886-87-1
  • SCHEMBL1424836
  • CHEBI:94768
  • MFCD09753595
  • SW218183-2
  • 4-Methyl-1-N-(3-phenylpropyl)benzene-1,2-diamine
  • BCP09944
  • 4-methyl-n1-(3-phenyl-propyl)-benzene-1,2-diamine
  • HMS3653C16
  • 4-Methyl-N~1~-(3-phenylpropyl)benzene-1,2-diamine
  • HMS3886H13
  • JSH 23
  • NF-kappaB activation inhibitor II
  • 4-methyl-N(1)-(3-phenylpropyl)benzene-1,2-diamine
  • s7351
  • 4-Methyl-N1-(3-phenylpropyl)-1,2-phenylenediamine
  • 4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
  • FD5025
  • NF kappa B Activation Inhibitor II, JSH-23
  • CHEMBL4303329
  • AC-33089
  • JSH23
  • M2734
  • EX-A2083
  • FT-0672095
  • BRD-K83354763-001-02-9
  • AKOS005931310
  • JSH-23
  • BS-18051

MDL Number

MFCD09753595

FAQ

What is 4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine (CAS: 749886-87-1)?

4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine (CAS: 749886-87-1) is a chemical compound with a molecular structure that includes a phenyl group, a methyl group, and a 1,2-benzenediamine moiety. It is typically a colorless to white crystalline solid with a melting point around 100-102°C.

What are the main uses of 4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine (CAS: 749886-87-1)?

4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine (CAS: 749886-87-1) is primarily used in the synthesis of pharmaceuticals, particularly nonsteroidal anti-inflammatory drugs (NSAIDs). It also finds applications in the development of agrochemicals and as a precursor in organic synthesis.

Is 4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine (CAS: 749886-87-1) safe?

4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine (CAS: 749886-87-1) is generally considered safe when handled under normal laboratory conditions. However, it should be used with caution due to its potential for skin and eye irritation. Proper protective equipment, such as gloves and goggles, should be worn during handling.

How should 4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine (CAS: 749886-87-1) be stored?

4-Methyl-N~1~-(3-phenylpropyl)-1,2-benzenediamine (CAS: 749886-87-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Avoid contact with incompatible materials such as strong acids and bases.

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