Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed C   > CHEMDIV3_004468
94-15-5 structure

CHEMDIV3_004468

Iupac Name:[3-(diethylamino)-2,2-dimethylpropyl] 4-aminobenzoate
CAS No.:94-15-5
Molecular Weight:278.396
Molecular Formula:C21H22N2O5 (isomer)
Names and Identifiers
Synonyms

1h-indole-3-ethanamine, alpha,5-dimethyl- AKOS006275862 BRD-A27499380-003-01-4 CCG-22674 EU-0014444 HMS1485L02 IDI1_022378 MCULE-4929700306 SCHEMBL1120488

Inchi
InChI=1S/C16H26N2O2/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13/h7-10H,5-6,11-12,17H2,1-4H3
InChkey
OWQIUQKMMPDHQQ-UHFFFAOYSA-N
Canonical Smiles
CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)N
Properties
Refractive Index
1.529
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

Computational chemical data
  • Molecular Weight:278.396g/mol
  • Molecular Formula:C21H22N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:278.199
  • Monoisotopic Mass:278.199
  • Complexity:293
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:55.6A^2
  • Heavy Atom Count:20
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADgjhmAYyyINABACI AiTSSACCAAAkAgAIiAEIbMgIJjKAtZmGMQBm0AGI6YeY2SGeCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-311-80563275
  • Fax:86-311-80563275
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
Recommended Suppliers
  • Tel:86-311-80563275
  • Fax:86-311-80563275
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
 
<