Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed B   > Benzeneethanamine, 4-amino-beta-methyl- (9CI)
68133-60-8 structure

Benzeneethanamine, 4-amino-beta-methyl- (9CI)

Iupac Name:sodium;1-benzylpyridin-1-ium-3-carboxylate;chloride
CAS No.:68133-60-8
EINECS(EC#): 236-580-9
Molecular Weight:271.676
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

4-(1-amino-2-propanyl)aniline 4-(1-aminopropan-2-yl)aniline 4-(2-amino-1-methyl-ethyl)-phenyl amine 4-(2-amino-1-methyl-ethyl)-phenylamine AKOS022807468 benzeneethanamine, 4-amino-beta-methyl- benzeneethanamine,4-amino-beta-methyl- CTK5A9552 DTXSID10663645 KB-288527 OR290916 RDARQCCLTDLTCW-UHFFFAOYSA-N SCHEMBL4527843

Inchi
InChI=1S/C13H11NO2.ClH.Na/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;;/h1-8,10H,9H2;1H;/q;;+1/p-1
InChkey
ONCDUCAWXQKSDE-UHFFFAOYSA-M
Canonical Smiles
C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-].[Na+].[Cl-]
Properties
Boiling Point
529.7°C at 760 mmHg
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:271.676g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:271.038
  • Monoisotopic Mass:271.038
  • Complexity:231
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:44A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADccByMCAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAAAAAADADBmgQ8iJMMEACo AjD3TACCgCA1AiAI2CE4bNgIJvrAlZGEMYhmwAHIyceYkQIOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:0086-21-6174 0809
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+49-621-5618376
  • Fax:+49-621-5618397
  • Tel:+86-(777)-3618513,2685237
  • Fax:+86-(777)-2820113
  • Tel:+1-(800)-231-8327
  • Fax:+1-(800)-962-9591
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
Recommended Suppliers
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:0086-21-6174 0809
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+49-621-5618376
  • Fax:+49-621-5618397
  • Tel:+86-(777)-3618513,2685237
  • Fax:+86-(777)-2820113
  • Tel:+1-(800)-231-8327
  • Fax:+1-(800)-962-9591
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
 
<