Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Others  /  Organic Intermediate  /  Vitamins, Amino Acids and Coenzymes  /  Custom Manufacturing
T6882466 structure
T6882466 structure

T6882466

Iupac Name:6-amino-1H-pyrimidine-2,4-dione
CAS No.:873-83-6
Molecular Weight:127.1
1. Names and Identifiers
1.1 Name
T6882466
1.2 Synonyms

[2-(1h-indol-3-yl)ethyl][(5-methoxy-1,3-dimethyl-1h-pyrazol-4-yl)methyl]amine CHEMBL3450838 MCULE-7831684321 MOLPORT-009-586-081 Z991033592 ZINC58392146

1.3 CAS No.
873-83-6
1.4 CID
70120
1.5 Molecular Formula
C18H27N3O5S (isomer)
1.6 Inchi
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
1.7 InChkey
LNDZXOWGUAIUBG-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(NC(=O)NC1=O)N
1.9 Isomers Smiles
C1=C(NC(=O)NC1=O)N
2. Properties
3.1 Melting point
≥360 °C(lit.)
3.1 Refractive index
1.5000 (estimate)
3.1 Precise Quality
127.03800
3.1 PSA
91.74000
3.1 logP
-0.77340
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
S22-S24/25
4.1 Safety Statements
22-24/25
4.1 Hazard Declaration
H302
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 RTECS
YQ8750000
4. 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

5. Computational chemical data
  • Molecular Weight:127.1g/mol
  • Molecular Formula:C18H27N3O5S
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:127.038176411
  • Monoisotopic Mass:127.038176411
  • Complexity:196
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:84.2
  • Heavy Atom Count:9
  • 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:1
6. Recommended Suppliers
Global211SuppliersView all >>
  • Products:Pharmaceutical, chemical technology research and development
  • Tel:086-0532-80960264
  • Email:derek@believechem.com
4-Amino-2,6-dihydroxypyrimidine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/27
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
6-Aminouracil
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/27
Inquire
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-888888
  • Email:jessica@zhanyaobio.com
6-Aminouracil CAS 873-83-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/metric ton
  • Time: 2022/05/27
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
6-AminouracilCAS NO.: 873-83-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 5600 USD/kilogram
  • Time: 2022/05/26
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:spring@crovellbio.com
6-Aminouracil CAS 873-83-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire