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Home> Encyclopedia >   /  Halide ( Except Chloride )  /  Pharmaceutical Intermediates  /  Other Inorganic Chemicals  /  Organic Intermediate  /  Other Inorganic Salts
n-[6-(dimethylamino)pyridin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide structure
n-[6-(dimethylamino)pyridin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide structure

n-[6-(dimethylamino)pyridin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

Iupac Name:dibromozinc
CAS No.:7699-45-8
Molecular Weight:225.217
1. Names and Identifiers
1.1 Name
n-[6-(dimethylamino)pyridin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
1.2 Synonyms

MCULE-7078115412 MOLPORT-020-144-933 Z1027835490

1.3 CAS No.
7699-45-8
1.4 CID
10421208
1.5 Molecular Formula
C16H21BrN2O3 (isomer)
1.6 Inchi
InChI=1S/2BrH.Zn/h2*1H;/q;;+2/p-2
1.7 InChkey
VNDYJBBGRKZCSX-UHFFFAOYSA-L
1.8 Canonical Smiles
[Zn+2].[Br-].[Br-]
1.9 Isomers Smiles
[Zn+2].[Br-].[Br-]
2. Properties
3.1 Melting point
394℃
3.1 Refractive index
1.5452
3.1 Precise Quality
221.76600
3.1 PSA
0
3.1 logP
1.68870
3. Safety and Handling
4.1 Risk Statements
R34;R50
4.1 Safety Statements
S26;S29;S36/37/39;S45;S61
4.1 Packing Group
II
4.1 Hazard Class
8
4.1 RIDADR
UN 3260
4.1 WGK Germany
3
4.1 RTECS
ZH1150000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Skin sensitization, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

H317 May cause an allergic skin reaction

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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

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

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

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

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

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

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:225.217g/mol
  • Molecular Formula:C16H21BrN2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:223.76377
  • Monoisotopic Mass:221.76582
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0
  • Heavy Atom Count:3
  • 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:3
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