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Home> Hot Product Listed C   > CHEMBRDG-BB 5547128
689-11-2 structure

CHEMBRDG-BB 5547128

Iupac Name:butan-2-ylurea
CAS No.:689-11-2
Molecular Weight:116.164
Molecular Formula:C9H14O (isomer)
Names and Identifiers
Synonyms

(2-methoxy-1-methyl-ethyl)-(3,4,5-trimethoxy-benzyl)-amine (2-methoxy-1-methylethyl)(3,4,5-trimethoxybenzyl)amine (2-methoxy-isopropyl)[(3,4,5-trimethoxyphenyl)methyl]amine 1-methoxy-n-(3,4,5-trimethoxybenzyl)propan-2-amine acm356092665 AK-97813 AKOS000230686 AKOS017273231 BAS 01124911 DTXSID10386049 MCULE-9418182961 MOLPORT-001-504-998 OPREA1_016723 OPREA1_553184 OR262107 ST45157941 ST50703475 W-8353

Inchi
InChI=1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChkey
CBRSBDUOPJQVMP-UHFFFAOYSA-N
Canonical Smiles
CCC(C)NC(=O)N
Properties
Refractive Index
1.446
Flash Point
146.8°C
Safety and Handling
Safety Statements
Moderately toxic by parenteral route. When heated to decomposition it emits toxic vapors of NOx.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 689-11-2 EC: CHEMBRDG-BB 5547128 ·ECHA C&L Inventory for CAS: CAS: 689-11-2 EC: CHEMBRDG-BB 5547128
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

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:116.164g/mol
  • Molecular Formula:C9H14O
  • Compound Is Canonicalized:True
  • Exact Mass:116.095
  • Monoisotopic Mass:116.095
  • Complexity:82.5
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:55.1A^2
  • Heavy Atom Count:8
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACCjBAAQDAALAAAAI AAAAEAAAAAAAAAAAAIAIAACAAAAAAAAEAAAAFgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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