Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >
1-Prenyl-2-methoxy-6-formyl-8-hydroxy-9H-carbazole structure
1-Prenyl-2-methoxy-6-formyl-8-hydroxy-9H-carbazole structure

1-Prenyl-2-methoxy-6-formyl-8-hydroxy-9H-carbazole

Iupac Name:2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CAS No.: 73-78-9
Molecular Weight:234.33728
Modify Date.: 2022-04-17 07:30
1. Names and Identifiers
1.1 Name
1-Prenyl-2-methoxy-6-formyl-8-hydroxy-9H-carbazole
1.2 Synonyms

1-Prenyl-2-methoxy- 6-formyl-8-hydroxy-9H-carbazole 9H-Carbazole-3-carboxaldehyde, 1-hydroxy-7-methoxy-8-(3-methyl-2-buten-1-yl)-

1.3 CAS No.
73-78-9
1.4 CID
6314
1.5 Molecular Formula
C12H15N3O3S (isomer)
1.6 Inchi
InChI=1S/C14H22N2O.ClH/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H
1.7 InChkey
IYBQHJMYDGVZRY-UHFFFAOYSA-N
1.8 Canonical Smiles
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.Cl
1.9 Isomers Smiles
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.Cl
2. Properties
3.1 Melting point
80-82°C
3.1 Flash Point
275.9±30.1 °C (Predicted)
3.1 Precise Quality
270.15000
3.1 PSA
32.34000
3.1 logP
3.45870
3.1 pKa
9.34±0.30(Predicted)
3. Safety and Handling
4.1 Packing Group
III
4.1 Hazard Class
6.1(b)
4.1 RIDADR
3249
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 234.33728g/mol
  • Molecular Formula: C12H15N3O3S
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 270.1498911
  • Monoisotopic Mass: 270.1498911
  • Complexity: 228
  • Rotatable Bond Count: 5
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 32.3
  • Heavy Atom Count: 18
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADceBzIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADAjBmAQywIPAAACIAiVSUACCAAAhAAAIiACIRIgIYCLAkbGUIAhglADIyAcQgEAOAAACAAACAAAAAAQAAAQAAAAAAAAAAA==
7. Realated Product Infomation