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Home> Hot Product Listed T   > T6592327
50-24-8 structure

T6592327

CAS No.:50-24-8
Molecular Weight:360.44402
Molecular Formula:C16H14N4O4 (isomer)
Names and Identifiers
Synonyms

1-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-3-(propan-2-yl)urea MCULE-8961420622 MOLPORT-009-301-118 Z382852618 ZINC40088757

Inchi
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChkey
OIGNJSKKLXVSLS-VWUMJDOOSA-N
Canonical Smiles
CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O
Isomers Smiles
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]
34C)O
Properties
Melting Point
240℃ (dec.)
Refractive Index
1.587
Safety and Handling
Risk Statements
R22
Safety Statements
22-45-36/37/39-26-16
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Aspen Oss BV 2011
Farmabios Spa 2011
NEWCHEM S.P.A. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

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.

Response

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

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:360.44402g/mol
  • Molecular Formula:C16H14N4O4
  • XLogP3-AA:1.6
  • Exact Mass:360.193674
  • Monoisotopic Mass:360.193674
  • Complexity:724
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:94.8
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:7
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
 
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