Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Autonomic nervous system depressants and...  /  Herbal Extract  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Laboratory Chemicals
N-(4,5-Dimethoxy-2-nitrophenyl)acetamide structure
N-(4,5-Dimethoxy-2-nitrophenyl)acetamide structure

N-(4,5-Dimethoxy-2-nitrophenyl)acetamide

Iupac Name:(1R,9R)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
CAS No.:102518-79-6
Molecular Weight:242.31600
1. Names and Identifiers
1.1 Name
N-(4,5-Dimethoxy-2-nitrophenyl)acetamide
1.2 Synonyms

Acetamide, N-(4,5-dimethoxy-2-nitrophenyl)-

1.3 CAS No.
102518-79-6
1.4 CID
449069
1.5 Molecular Formula
C24H32O5 (isomer)
1.6 Inchi
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/t10-,15+/m0/s1
1.7 InChkey
ZRJBHWIHUMBLCN-ZUZCIYMTSA-N
1.8 Canonical Smiles
CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3
1.9 Isomers Smiles
CC=C1[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3
2. Properties
3.1 Density
1.303±0.06 g/cm3(Predicted)
3.1 Melting point
211-216oC
3.1 Refractive index
1.626
3.1 Precise Quality
242.14200
3.1 PSA
58.88000
3.1 logP
2.69780
3. Safety and Handling
4.1 Symbol
GHS06
4.1 Signal Word
Danger
4.1 Risk Statements
R26/27/28; R36/37/38
4.1 Safety Statements
S26; S36/37/39; S45
4.1 Hazard Declaration
H300 + H310 + H330-H315-H319-H335
4.1 RIDADR
UN 1544 6.1/PG 2
4.1 Caution Statement
P260-P264-P280-P284-P301 + P310-P302 + P350
4.1 WGK Germany
3
4.1 RTECS
PB9185700
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 2

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301+H311 Toxic if swallowed or in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P262 Do not get in eyes, on skin, or on clothing.

P264 Wash ... thoroughly after handling.

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

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

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

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

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

Response

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

P320 Specific treatment is urgent (see ... on this label).

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Uses
N-(4,5-Dimethoxy-2-nitrophenyl)acetamide is an intermediate in synthesizing 5,6-Orthoquinone Primaquine-d6 Hydrobromide (O697512), an isotope labelled compound of 5,6-Orthoquinone Primaquine (O697510). 5,6-Orthoquinone Primaquine is used in the study of the differential pharmacological and toxicological properties of primaquine enantiomers. Primaquine is currently the only approved drug for the treatment and radical cure of Plasmodium vivax malaria.
6. Computational chemical data
  • Molecular Weight:242.31600g/mol
  • Molecular Formula:C24H32O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:0
  • Exact Mass:242.141913202
  • Monoisotopic Mass:242.141913202
  • Complexity:551
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:55.1
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Recommended Suppliers
Global402SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Huperzine A CAS NO.102518-79-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Hot Sales Huperzine A
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:spring@crovellbio.com
Huperzine-A CAS 102518-79-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:chemical raw materials, veterinary drug raw materials, animal and plant extracts, pharmaceutical excipients, pharmaceutical products, food additives
  • Tel:86-182-37818276
  • Email:hnkanbeichemical@126.com
(-)-Huperzine A
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/27
Inquire
  • Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
  • Tel:86-00000-+8617065658228
  • Email:estella@ylbosstech.com
Factory Supply huperzine A CAS 102518-79-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/02/24
Inquire