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Home> Encyclopedia > Hot Product Listed 5   > 5,6-Quinolinediamine,N6-methyl-
18999-28-5 structure

5,6-Quinolinediamine,N6-methyl-

CAS No.:18999-28-5
Molecular Weight:128.16898
Molecular Formula:C62H90N16O15 (isomer)
Names and Identifiers
Synonyms

5-Amino-6-(methylamino)quinoline N6-Methyl-5,6-quinolinediamine Quinoline,5-amino-6-(methylamino)- (8CI)

Inchi
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
InChkey
YURNCBVQZBJDAJ-AATRIKPKSA-N
Canonical Smiles
CCCCC=CC(=O)O
Isomers Smiles
CCCC/C=C/C(=O)O
Properties
Appearance
Brown Solid
Density
2.34
Vapour
0.0295mmHg at 25°C
Refractive Index
1.457
Flash Point
346.2°C
HS Code
2916190090
Safety and Handling
Safety Statements
Moderately toxic by intraperitoneal and subcutaneous routes. When heated to decomposition it emits acrid smoke and fumes.
Specification

The cas register number of 5-Amino-6-(methylamino)quinoline is 14204-98-9. It also can be called as 5,6-Quinolinediamine,N6-methyl- and the IUPAC Name about this chemical is 6-N-methylquinoline-5,6-diamine. It belongs to the following product categories, such as Aromatics Compounds, Aromatics, Mutagenesis Research Chemicals and so on.

Physical properties about 5-Amino-6-(methylamino)quinoline are: (1)ACD/LogP: 0.62; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 19.37Å2; (6)Index of Refraction: 1.743; (7)Molar Refractivity: 56.03 cm3; (8)Molar Volume: 138.5 cm3; (9)Polarizability: 22.21x10-24cm3; (10)Surface Tension: 62.8 dyne/cm; (11)Enthalpy of Vaporization: 61.93 kJ/mol; (12)Boiling Point: 372.2 °C at 760 mmHg; (13)Vapour Pressure: 9.81E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc2c(c(ccc12)NC)N
(2)InChI: InChI=1/C10H11N3/c1-12-9-5-4-8-7(10(9)11)3-2-6-13-8/h2-6,12H,11H2,1H3
(3)InChIKey: VKTBLHRTAVWXIJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H11N3/c1-12-9-5-4-8-7(10(9)11)3-2-6-13-8/h2-6,12H,11H2,1H3
(5)Std. InChIKey: VKTBLHRTAVWXIJ-UHFFFAOYSA-N

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Skin corrosion, Category 1C

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H290 May be corrosive to metals

H314 Causes severe skin burns and eye damage

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

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

P264 Wash ... thoroughly after handling.

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

Response

P390 Absorb spillage to prevent material damage.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/…

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

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:128.16898g/mol
  • Molecular Formula:C62H90N16O15
  • Exact Mass:128.08373
  • Monoisotopic Mass:128.08373
  • Complexity:106
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Tel:021-67121386 800-988-0390
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  • Fax:619 423 7793
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