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Home> Hot Product Listed A   > AC1Q1PSN
64-55-1 structure

AC1Q1PSN

Iupac Name:[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
CAS No.:64-55-1
Molecular Weight:232.2768
Molecular Formula:C20H22N4O5S (isomer)
Names and Identifiers
Synonyms

2-methyl-2-[4-(2-methylpropoxy)phenyl]propanoic acid AKOS005793626 EN300-71840 MCULE-7763425998 MOLPORT-011-426-532 NE15599 SCHEMBL19469568 Z1270384400 ZINC37934481

Inchi
InChI=1/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
Canonical Smiles
CCC(C)C(C)(COC(=O)N)COC(=O)N
Properties
Refractive Index
1.477
Safety and Handling
Risk Statements
36/37/38
Safety Statements
Poison by ingestion. Moderately toxic by intraperitoneal route. An FDA proprietary drug. When heated to decomposition it emits toxic fumes of NOx.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 64-55-1 EC: AC1Q1PSN ·ECHA C&L Inventory for CAS: CAS: 64-55-1 EC: AC1Q1PSN
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:232.2768g/mol
  • Molecular Formula:C20H22N4O5S
  • Exact Mass:232.142307
  • Monoisotopic Mass:232.142307
  • Complexity:237
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:105
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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