5-(3,4-Dimethoxybenzyl)-2,4-pyrimidinediamine | CAS No. 5355-16-8

5-(3,4-Dimethoxybenzyl)-2,4-pyrimidinediamine

Basic Information

CAS Number

5355-16-8

Molecular Formula

C13H16N4O2

Molecular Weight

260.3 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

233°

Boiling Point

506.1±60.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

354.3±30.1 °C

Refractive Index

1.626

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC

InChI

InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)

InChIKey

LDBTVAXGKYIFHO-UHFFFAOYSA-N

LogP

1.2489999999999999

Topological Polar Surface Area

96.28 Ų

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

279

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • CHEBI:123115
  • NSC-759634
  • 5-((3,4-Dimethoxyphenyl)methyl)-2,4-pyrimidinediamine
  • DIAVERIDINE [MART.]
  • CCG-213021
  • MLS004712092
  • 5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine
  • Tox21_111866_1
  • NSC759634
  • NS00000684
  • EGIS-5645
  • HMS3264I16
  • 7KVX81XA87
  • SR-01000939849
  • Pyrimidine,4-diamino-5-veratryl-
  • D03771
  • EINECS 226-333-3
  • Q27212503
  • UNII-7KVX81XA87
  • 5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamine
  • AI3-23935
  • Diaveridin
  • NSC 408735
  • Z2681892420
  • 2,4-dimethoxybenzyl)pyrimidine
  • AC-12110
  • 2,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-
  • Diaveridine [USAN:INN:BAN]
  • Epitope ID:119685
  • DIAVERIDINE [USAN]
  • SR-01000939849-2

MDL Number

MFCD00057349

Customs Code

2933599090

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