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2,6-Diaminopurine | 1904-98-9

Product name:2,6-Diaminopurine

CAS No:1904-98-9
MF:C5H6N6
MW:150.1413
MDL:MFCD00071537
CID:42164
PubChem ID:30976
Names and Identifiers
  • 7H-Purine-2,6-diamine
  • 1H-Purine-2,6-diamine
  • 9H-Purine-2,6-diamine
  • 2,6-Diaminopurine
  • 2,4-HEXANEDIONE
  • 2,6-Daminopurine
  • 2,6-diamino-9H-purine
  • 2,6-diamino-purin
  • 2,6-DiaMinopurine Hydrate
  • 26DAPY
  • 2-Aminoadenine
  • 9H-2,6-diaminopurine
  • diaminopurine
  • x79
  • Purine, 2,6-diamino-
  • Purine-2,6-diyldiamine
  • X 79
  • SQ 21065
  • 2,6-Diamino-purin-9-yl
  • purine-2,6-diamine
  • 49P95BAU4Z
  • MSSXOMSJDRHRMC-UHFFFAOYSA-N
  • 6AP
  • 26-diaminopurine
  • Purine,6-diamino-
  • 2-6-Diaminopurine
  • 2,6-diamino-purine
  • Pu
  • CHEBI:40235
  • 9H-Purine-2,6-diamine #
  • A813410
  • DIAMINOPURINE, 2,6-
  • HY-W013631
  • SY036886
  • NSC-743
  • EN300-101012
  • NSC743
  • Oprea1_670021
  • W-203543
  • MFCD00213668
  • BP-13206
  • NSC 743
  • TS-00060
  • SCHEMBL24052
  • MLS001066366
  • 2,6-diamino-9h-purine
  • 1904-98-9
  • CCRIS 923
  • DTXSID0062052
  • 2,6-DIAMINOPURINE [MI]
  • BCP30955
  • MFCD00047146
  • CHEMBL388596
  • AKOS003368184
  • SMR000112503
  • Q-200204
  • Z1255486094
  • AI3-25010
  • 7H-purine-2,6-diamine
  • MFCD00071537
  • AKOS028109333
  • CCRIS 3903
  • BDBM50208879
  • AC-8693
  • AKOS015896933
  • 9H-Purine-2,6-diamine
  • 2-Aminoadenine
  • 9H-Purine-2,6-diamine0.5M H2SO4
  • AM81387
  • GS-3048
  • 133762-79-5
  • UNII-49P95BAU4Z
  • CS-W014347
  • NS00026227
  • D1625
  • EINECS 217-605-2
  • AC-907/34116038
  • Q4596802
  • (2-amino-7H-purin-6-yl)-amine
  • HMS2267N10
  • SCHEMBL16513167
  • FT-0610530
  • Purine, 2, 6-diamino-
  • Group4_Adenines
  • 2,6-Diaminopurine, 98%
  • MDL:MFCD00071537
  • InChIKey:MSSXOMSJDRHRMC-UHFFFAOYSA-N
  • Inchi:1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
  • SMILES:N1([H])C([H])=NC2C1=C(N([H])[H])N=C(N([H])[H])N=2
  • BRN:9624
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 150.06500
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 150.065
  • Heavy Atom Count: 11
  • Complexity: 150
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: -0.9
  • Tautomer Count: 26
  • Surface Charge: 0
  • Topological Polar Surface Area: 107

Experimental Properties

  • LogP: 0.67970
  • PSA: 106.50000
  • Merck: 14,2985
  • Refractive Index: 1.8750 (estimate)
  • Water Partition Coefficient: 2.38 g/L (20 ºC)
  • Boiling Point: 749°C at 760 mmHg
  • Melting Point: 302 ºC
  • Flash Point: 155 °C
  • Color/Form: powder
  • Solubility: Water soluble
  • Density: 1.2562 (rough estimate)
Security Information
  • Symbol: GHS07 GHS08
  • RTECS:UO7524000
  • WGK Germany:3
  • Safety Term:S36/37;S45
  • Safety Instruction:S26-S45-S36/37-S36/37/39-S27
  • Risk Phrases:R40
  • Dangerous goods sign: Xn Xn
  • Hazard Statement:H302,H312,H315,H319,H332,H335,H351
  • Warning Statement:P261,P280,P305+P351+P338
  • Storage Condition:Keep in dark place,Inert atmosphere,Room temperature
  • Hazard Category Code:R40
  • Signal Word:Warning
  • TSCA:Yes
  • FLUKA BRAND F CODES:9
Customs Data
  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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