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Home> Hot Product Listed S   > Sulfamide,N-(3-methylphenyl)-
19395-41-6 structure

Sulfamide,N-(3-methylphenyl)-

Iupac Name:2-phenyl-2-piperidin-2-ylacetic acid
CAS No.:19395-41-6
Molecular Weight:219.284
Molecular Formula:C8H20O2SN (isomer)
Names and Identifiers
Synonyms

1-methyl-3-(sulfamoylamino)benzene AK432034 AKOS027393890 SCHEMBL14534371 Sulfamide, m-tolyl- (6CI) Sulfamide,m-tolyl- (6CI)

Inchi
InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
InChkey
INGSNVSERUZOAK-UHFFFAOYSA-N
Canonical Smiles
C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
Properties
Melting Point
236-238ºC
Vapour
0.000204mmHg at 25°C
Refractive Index
1.499
Safety and Handling
Risk Statements
R36
Safety Statements
26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 19395-41-6 EC: Sulfamide,N-(3-methylphenyl)- ·ECHA C&L Inventory for CAS: CAS: 19395-41-6 EC: Sulfamide,N-(3-methylphenyl)-
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:219.284g/mol
  • Molecular Formula:C8H20O2SN
  • Compound Is Canonicalized:True
  • XLogP3-AA:_2.4
  • Exact Mass:219.126
  • Monoisotopic Mass:219.126
  • Complexity:236
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.3A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQCAAADSjBmAQwCILAAgCI AiDSCAACAAAgAAAIiIEIAIgIIDqAlRGEYAAm0AGIiAeYyOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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