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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrimidinamine,5-[2-(2-chlorophenyl)diazenyl]-4,6-dimethyl-
330784-47-9 structure

2-Pyrimidinamine,5-[2-(2-chlorophenyl)diazenyl]-4,6-dimethyl-

Iupac Name:4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CAS No.:330784-47-9
EINECS(EC#): 233-243-8
Molecular Weight:483.95064
Molecular Formula:C4H6CL2O (isomer)
Names and Identifiers
Synonyms

2-amino-5-((o-chlorophenyl)azo)-4,6-dimethylpyrimidine 2-Pyrimidinamine,5-[(2-chlorophenyl)azo]-4,6-dimethyl- (9CI) 5-[(2-chlorophenyl)diazenyl]-4,6-dimethylpyrimidin-2-amine 5-[(e)-(2-chlorophenyl)diazenyl]-4,6-dimethylpyrimidin-2-amine 5-[2-(2-chlorophenyl)diazen-1-yl]-4,6-dimethylpyrimidin-2-amine AC1L4TGK AC1Q3RTD brn 0253675 CTK8D4640 HE144006 LS-134631 py-66 pyrimidine, 2-amino-5-((o-chlorophenyl)azo)-4,6-dimethyl- Pyrimidine, 2-amino-5-[(o-chlorophenyl)azo]-4,6-dimethyl-(6CI,8CI)

Inchi
InChI=1/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1
InChkey
WEAJZXNPAWBCOA-INIZCTEOSA-N
Canonical Smiles
COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl
Isomers Smiles
COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl
Properties
Density
1.12
Melting Point
150-152 °C
Boiling Point
281.3°Cat760mmHg
Refractive Index
1.651
Flash Point
253.6°C
HS Code
2933990090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:483.95064g/mol
  • Molecular Formula:C4H6CL2O
  • Exact Mass:483.178565
  • Monoisotopic Mass:483.178565
  • Complexity:642
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:125
  • Heavy Atom Count:34
  • 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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