Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Chewing Gum Bases  /  Ester & Derivatives  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Other Organic Chemicals
N-(4-acetylphenyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide structure
N-(4-acetylphenyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide structure

N-(4-acetylphenyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

Iupac Name:butyl acetate
CAS No.:123-86-4
Molecular Weight:116.16
1. Names and Identifiers
1.1 Name
N-(4-acetylphenyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
1.2 Synonyms

6769-44-4 AGN-PC-0LP16M AKOS001147734 DTXSID70412570 F0697-0333 MCULE-2423894124 MolPort-003-051-286 N-(4-acetylphenyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide SR-01000101429 SR-01000101429-1 STK979590 ZINC2917399

1.3 CAS No.
123-86-4
1.4 CID
31272
1.5 Molecular Formula
C12H19O5P (isomer)
1.6 Inchi
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
1.7 InChkey
DKPFZGUDAPQIHT-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCOC(=O)C
1.9 Isomers Smiles
CCCCOC(=O)C
2. 3D Conformer
3. Properties
3.1 Density
1.28
3.2 Melting Point
-77.9℃
3.3 Boiling Point
597.2°C at 760 mmHg
3.4 Vapour
11.5mmHg at 25°C
3.5 Refractive Index
1.393-1.395
4. Safety and Handling
4.1 Risk Statements
R10;R66;R67
4.2 Safety Statements
S25
4.3 HazardClass
3
4.3 Hazard Note
H226; H336
4.4 PackingGroup
III
4.5 Transport
UN 1123
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H336 May cause drowsiness or dizziness

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

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

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

Response

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

P370+P378 In case of fire: Use ... to extinguish.

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

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

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:116.16g/mol
  • Molecular Formula:C12H19O5P
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.8
  • Exact Mass:116.084
  • Monoisotopic Mass:116.084
  • Complexity:68.9
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:8
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICCAAABAAI AACQCAAAAAAAAAAAAAAAAAAAAAAAAAACAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Question & Answer
  • Butyl acetate, also known as butyl ethanoate or n-butyl acetate, is a chemical compound with a molecular formula of C6H12O2. Butyl acetate is an ester that is a colorless solvent with with medium volatility and a characteristic fruity banana odor. It is highly flammable with a flash point of 24°...
9. Recommended Suppliers
Global493SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory directly supply Butyl Acetate / n-Butyl Acetate Cas 123-86-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/06/18
Inquire
  • Products:API,Pharmaceutical intermediates, food additives, plant extracts,cosmetics,fine chemicals,reagents
  • Tel:+86-571-88216897
  • Email:bobtang@hzclap.com
Butyl acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2021/01/23
Inquire
  • Products:o-Phthalaldehyde, Methoxyammonium chloride
  • Tel:86-592-5360779
  • Email:sales@luyunjiachem.com
Butyl acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/04/22
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
n-butyl acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/12/20
Inquire
  • Products:Methyl Acetate 99.96%
  • Tel:86-523-87535308
Butyl Acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 800 USD/Metric Ton
  • Time: 2017/05/25
Inquire