Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6544380
37686-84-3 structure

T6544380

Iupac Name:3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea
CAS No.:37686-84-3
Molecular Weight:340.46
Molecular Formula:C9H12CLF2N (isomer)
Names and Identifiers
Synonyms

1-(2-methoxyethyl)-6-oxo-n-[(1-phenylcyclobutyl)methyl]-1,6-dihydropyridazine-3-carboxamide MCULE-7547461266 MOLPORT-009-527-750 Z226016300 ZINC40485446

Inchi
InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
InChkey
JOAHPSVPXZTVEP-YXJHDRRASA-N
Canonical Smiles
CCN(CC)C(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
Isomers Smiles
CCN(CC)C(=O)N[C@H]1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
Properties
Melting Point
203-204° (dec); mp 205-207° (dec) (Cerny)
Refractive Index
1.6620 (estimate)
Safety and Handling
Risk Statements
23/24/25
Safety Statements
36/37/39-45
Transport
UN 2811 6.1/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

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

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

P330 Rinse mouth.

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

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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

P311 Call a POISON CENTER/doctor/…

Storage

P405 Store locked up.

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

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:340.46g/mol
  • Molecular Formula:C9H12CLF2N
  • Compound Is Canonicalized:True
  • Exact Mass:340.226
  • Monoisotopic Mass:340.226
  • Complexity:494
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:51.4A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:3
  • 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: AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFjx8AAAHgAQAAAADSjBHgQ/wPPJkACo AzRnVACCgCAxAiAI2aA4ZJiIYOLAkZGUIAholgLIyAcQgMAOgAAAQAASAACQAASAACQAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<