Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6847266
104344-23-2 structure

T6847266

Iupac Name:(E)-but-2-enedioic acid;1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
CAS No.:104344-23-2
Molecular Weight:766.97
Molecular Formula:C17H19CLN2O3 (isomer)
Names and Identifiers
Synonyms

MCULE-2025452682 MOLPORT-009-581-919 n-(2-methanesulfonamidoethyl)-2-(pyridin-3-yloxy)benzamide Z963560982 ZINC52027389

Inchi
InChI=1S/2C18H31NO4.C4H4O4/c2*1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h2*5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChkey
VMDFASMUILANOL-WXXKFALUSA-N
Canonical Smiles
CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.C(=CC(=O)O)C(=O)O
Isomers Smiles
CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)
O.C(=C/C(=O)O)\C(=O)O
Properties
Melting Point
100 °C
Vapour
1.06E-08mmHg at 25°C
Safety and Handling
Risk Statements
R22
HazardClass
IRRITANT
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 104344-23-2 EC: T6847266 ·ECHA C&L Inventory for CAS: CAS: 104344-23-2 EC: T6847266
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:766.97g/mol
  • Molecular Formula:C17H19CLN2O3
  • Compound Is Canonicalized:True
  • Exact Mass:766.462
  • Monoisotopic Mass:766.462
  • Complexity:397
  • Rotatable Bond Count:26
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:14
  • Topological Polar Surface Area:195A^2
  • Heavy Atom Count:54
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB/PAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADDzhmAYyDoLABgCI AiDSCAACCAAgIAAIiIAOCMgPNiKEMRqGOCCm0BGbuYeA4CwOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
 
<