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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthalenepropanoicacid, 3,4-dihydro-6-methoxy-a,a-dimethyl-b-propyl-
106775-95-5 structure

2-Naphthalenepropanoicacid, 3,4-dihydro-6-methoxy-a,a-dimethyl-b-propyl-

Iupac Name:methyl 3-amino-2,3-dihydro-1-benzofuran-2-carboxylate
CAS No.:106775-95-5
EINECS(EC#): 227-449-7
Molecular Weight:193.202
Molecular Formula:C8H10N2O4S (isomer)
Names and Identifiers
Synonyms

2-naphthalenepropionic acid, 3,4-dihydro-alpha,alpha-dimethyl-6-methoxy-beta-propyl- 3-(5,4-dihydro-6-methoxy-2-naphthyl)-,2-dimethyl-hexanoic acid 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)-2,2-dimethylhexanoic acid 3,4-dihydro-6-methoxy-alpha,alpha-dimethyl-beta-propyl-2-naphthalenepropanoic acid AC1L25UY alpha,alpha-dimethyl-6-methoxy-beta-propyl-3,4-dihydro-2-naphthalenepropionic acid brn 2877332 e 785 E785 e-785 hexanoic acid, 2,2-dimethyl-3-(6-methoxy-3,4-dihydro-2-naphthyl)- LS-94817

Inchi
InChI=1S/C10H11NO3/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,8-9H,11H2,1H3
InChkey
MLMWEXTTZHBZPM-UHFFFAOYSA-N
Canonical Smiles
COC(=O)C1C(C2=CC=CC=C2O1)N
Properties
Density
1.097
Boiling Point
485°Cat760mmHg
Flash Point
330.6°C
Safety and Handling
Safety

Experimental reproductive effects. When heated to decomposition E 785 (CAS NO.55620-97-8) emits acrid smoke and fumes.

Toxicity
1.    

orl-rat TDLo:70 µg/kg (female 1-7D post):REP

    IJEBA6    Indian Journal of Experimental Biology. 13 (1975),79.
Specification

 E 785 , its cas register number is 55620-97-8. It also can be called Hexanoic acid, 2,2-dimethyl-3-(6-methoxy-3,4-dihydro-2-naphthyl)- ; alpha,alpha-Dimethyl-6-methoxy-beta-propyl-3,4-dihydro-2-naphthalenepropionic acid ; 3,4-Dihydro-6-methoxy-alpha,alpha-dimethyl-beta-propyl-2-naphthalenepropanoic acid ; and 2-Naphthalenepropionic acid, 3,4-dihydro-alpha,alpha-dimethyl-6-methoxy-beta-propyl- .

Computational chemical data
  • Molecular Weight:193.202g/mol
  • Molecular Formula:C8H10N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:193.074
  • Monoisotopic Mass:193.074
  • Complexity:231
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:61.6A^2
  • Heavy Atom Count:14
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBAAAAHgAQAAAADDzhmAYyDoBABACI AiDSCAKCCAAgIAAIiIFGDIgPJjqEsR+DOCDm0BEKqAeY7KzOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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