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Home> Hot Product Listed C   > CHEMBRDG-BB 5175083
59-30-3 structure

CHEMBRDG-BB 5175083

CAS No.:59-30-3
Molecular Weight:441.39746
Molecular Formula:C14H11N3O (isomer)
Names and Identifiers
Synonyms

2-(BUTYLAMINO)-8-QUINOLINOL 2-(butylamino)-8-quinolinol(SALTDATA: FREE) 2-(butylamino)quinolin-8-ol 2-butylaminoquinolin-8-ol 4ll 8-quinolinol, 2-(butylamino)- AC1LVWQ4 AJ-72203 AK-97267 AKOS022184427 AMBCB5175083 CBDIVE_010188 CHEMBL591646 chembrdg-bb5175083 dndi1416936 DTXSID70364868 EU-0000388 HE381405 KB-331076 MCULE-6492544899 mfcd00168934 MOLPORT-002-134-431 PROBES1_000006 PROBES2_000407 SCHEMBL15472857 sj000120704 W-6596 ZINC19093683 zx-an052062 zx-cm015244

Inchi
InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
Canonical Smiles
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
Isomers Smiles
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
Properties
Melting Point
250℃
Alpha
20° (C=1, 0.1N NAOH)
Safety and Handling
Risk Statements
R33;R62;R68
Safety Statements
S24/25
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

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

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.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:441.39746g/mol
  • Molecular Formula:C14H11N3O
  • Exact Mass:441.139681
  • Monoisotopic Mass:441.139681
  • Complexity:767
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:209
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:1
  • 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
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  • Fax:86-0717-4460150
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  • Fax:+86-1561403-1352
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
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  • Tel:86-27-13407111142
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  • Tel:86-25-83697070
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