Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Agrochemical Intermediates  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Organic Intermediate  /  Others
Benzamide,2-[(phenylmethyl)amino]- structure
Benzamide,2-[(phenylmethyl)amino]- structure

Benzamide,2-[(phenylmethyl)amino]-

Iupac Name:4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CAS No.:288383-20-0
Molecular Weight:450.514
1. Names and Identifiers
1.1 Name
Benzamide,2-[(phenylmethyl)amino]-
1.2 Synonyms

1-[5-(2,6-dimethylphenoxy)pentyl]piperidine 2-(Benzylamino)benzamide 5363-37-1 Benzamide,o-(benzylamino)- (6CI,7CI,8CI) DTXSID20367127 MCULE-4732660415

1.3 CAS No.
288383-20-0
1.4 CID
9933475
1.5 Molecular Formula
C10H13ASO4 (isomer)
1.6 Inchi
InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
1.7 InChkey
XXJWYDDUDKYVKI-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5
1.9 Isomers Smiles
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5
2. 3D Conformer
3. Properties
3.1 Vapour
0mmHg at 25°C
3.2 Refractive Index
1.642
3.3 Flash Point
246.4°C
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Reproductive toxicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H361 Suspected of damaging fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

H410 Very 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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

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:450.514g/mol
  • Molecular Formula:C10H13ASO4
  • Compound Is Canonicalized:True
  • Exact Mass:450.207
  • Monoisotopic Mass:450.207
  • Complexity:625
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:72.5A^2
  • Heavy Atom Count:33
  • 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: AAADceB7sQAAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFix/gAAHwAQAAAADAzhng431vfJlACg AyRjZACCiCkxIqAJ2SA+7JiNLuLE+duOPCru0BvK6Cfw8L8OIEABAgACQABAgAIEAASAAAAAAAAA AA==
7. Recommended Suppliers
Global137SuppliersView all >>
  • Products:Pharmaceutical intermediates Pesticide intermediates Food Additives Custom synthesis
  • Tel:+86-311-8985004
  • Email:rhea@zk-chem.com
Cediranib CAS:288383-20-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2021/08/04
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory Supply Cediranib CAS 288383-20-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/07/30
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Cediranib CAS NO.288383-20-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/01/29
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Cediranib
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Cediranib
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire