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Home> Hot Product Listed A   > AKOS005363273
67-42-5 structure

AKOS005363273

Iupac Name:2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CAS No.:67-42-5
Molecular Weight:380.35
Molecular Formula:C11H17NO (isomer)
Names and Identifiers
Synonyms

3-benzofuranamine, 6,7-dichloro-2,3-dihydro- 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine 6,7-dichloro-2,3-dihydro-3-benzofuranamine FT-0756949 MCULE-3432068179 mfcd12187835

Inchi
InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChkey
DEFVIWRASFVYLL-UHFFFAOYSA-N
Canonical Smiles
C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Properties
Melting Point
240-245℃
HS Code
29225000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 67-42-5 EC: AKOS005363273 ·ECHA C&L Inventory for CAS: CAS: 67-42-5 EC: AKOS005363273
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:380.35g/mol
  • Molecular Formula:C11H17NO
  • Compound Is Canonicalized:True
  • Exact Mass:380.143
  • Monoisotopic Mass:380.143
  • Complexity:397
  • Rotatable Bond Count:17
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:174A^2
  • Heavy Atom Count:26
  • 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: AAADceBzPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADhgAYACAMABgAI AACQCAAAAAAAAAAAAACIAAADAAAAACADAAAAAACSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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