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Home> Hot Product Listed H   > Hexanedioic acid, polymer with 1,2-ethanediol and 1,2-propanediol
107007-99-8 structure

Hexanedioic acid, polymer with 1,2-ethanediol and 1,2-propanediol

Iupac Name:1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CAS No.:107007-99-8
EINECS(EC#): 203-598-3
Molecular Weight:348.875
Molecular Formula:C3H5BRO (isomer)
Names and Identifiers
Synonyms

Adipic acid,ethylene glycol,propylene glycol polymer

Inchi
InChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H/t13-,14-;/m0./s1
InChkey
QYZRTBKYBJRGJB-IODNYQNNSA-N
Canonical Smiles
CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl
Properties
Density
1.11
Melting Point
290-292°C
Boiling Point
127.5°Cat760mmHg
Vapour
0mmHg at 25°C
Refractive Index
1.69
Flash Point
529.012 °C at 760 mmHg
HS Code
29399990
Safety and Handling
Risk Statements
R22
Safety Statements
26-36-37
Reach Info
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:348.875g/mol
  • Molecular Formula:C3H5BRO
  • Compound Is Canonicalized:True
  • Exact Mass:348.172
  • Monoisotopic Mass:348.172
  • Complexity:442
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.2A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7oAAEAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAYAFgB8AAAHgAYAAAADCjBngQywPPIAACq AyVyVACSBAAnggAY2KG4ZNgIYLLA1dGUpQhgngDIyQcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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