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Home> Hot Product Listed N   > N,N-dimethyl-1,3,5-triazin-2-amine
66063-05-6 structure

N,N-dimethyl-1,3,5-triazin-2-amine

Iupac Name:1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CAS No.:66063-05-6
Molecular Weight:328.83584
Molecular Formula:C12H8F2S2 (isomer)
Names and Identifiers
Synonyms

2-DIMETHYLAMINO-S-TRIAZINE

Inchi
InChI=1/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
Canonical Smiles
C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3
Properties
Melting Point
129 - 134
Boiling Point
388.3°C at 760 mmHg
Refractive Index
1.619
Flash Point
127.9°C
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:328.83584g/mol
  • Molecular Formula:C12H8F2S2
  • XLogP3-AA:4.8
  • Exact Mass:328.134241
  • Monoisotopic Mass:328.134241
  • Complexity:370
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:32.3
  • Heavy Atom Count:23
  • 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:1
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