Cas no 4040-10-2 (5-azacytosine)

5-azacytosine structure
5-azacytosine structure
Product Name:5-azacytosine
CAS No:4040-10-2
MF:C3H4N4O
MW:112.090059280396
CID:925753
PubChem ID:19956
Update Time:2025-04-19

5-azacytosine Chemical and Physical Properties

Names and Identifiers

    • 5-azacytosine
    • 6-amino-1,3,5-triazin-2(1H)-one
    • 6-amino-1H-s-triazin-2-one
    • 6-azanyl-1H-1,3,5-triazin-2-one
    • 4-Amino-1,3,5-triazin-2(1H)-one #
    • SCHEMBL21169645
    • NSC 51100
    • BCP22914
    • 4-Amino-1,3,5-triazin-2(1H)-one
    • DTXSID80239275
    • A51119
    • NSC51100
    • 5AZ
    • 1,3,5-Triazin-2(1H)-one, 4-amino-
    • NSC 54006
    • MFCD00149402
    • Z1962222528
    • AKOS015854832
    • 6-amino-1H-1,3,5-triazin-2-one
    • 6-amino-1,2-dihydro-1,3,5-triazin-2-one
    • 5-Azacytosine-15N4
    • azacytosine
    • 5-Aza-Cytosine
    • AKOS002658026
    • NSC-54006
    • AS-10943
    • C5UW4MS7VR
    • CHEMBL1230389
    • SCHEMBL13863
    • Q27139948
    • 2-Amino-4-hydroxy-sym-triazine
    • 4-Methoxy Phencyclidine-d4 Hydrochloride
    • NSC-51100
    • NSC54006
    • 4-amino-s-triazin-2(1H)-one
    • BDBM50389508
    • 2-Amino-4-hydroxy-1,3,5-triazine
    • SY030603
    • UNII-C5UW4MS7VR
    • 4-Amino-2-hydroxy-1,3,5-triazine
    • s-Triazin-2(1H)-one, 4-amino-
    • 4-amino-5H-1,3,5-triazin-2-one
    • DB-006956
    • A-9450
    • 5-aza cytosine
    • 4040-10-2
    • 2-Hydroxy-4-aminotriazine
    • CS-0008471
    • 2-Amino-4-hydroxy-1,3,5-triazine; 4-Amino-1,3,5-triazin-2-one
    • NS00039530
    • 5-Azacytosine (4-Amino-1,3,5-triazin-2(1H)-one)
    • s-Triazin-2-ol, 4-amino-
    • MFCD00006033
    • 4-Amino-1,3,5-triazin-2-one
    • 4-Amino-1,3,5-triazin-2-ol
    • EN300-136571
    • AKOS015919837
    • 931-86-2
    • 4-amino-1H-1,3,5-triazin-2-one
    • CHEBI:72474
    • AM81319
    • A844469
    • EINECS 213-242-9
    • 2-amino-4-hydroxy-s-triazine
    • AC-12915
    • 1118000-83-1
    • MFCD00051007
    • 1216950-61-6
    • Inchi： 1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)
    • InChI Key： MFEFTTYGMZOIKO-UHFFFAOYSA-N
    • SMILES： O=C1N=CN=C(N)N1

Computed Properties

  • Exact Mass: 112.03900
  • Monoisotopic Mass: 112.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 79.8A^2
  • XLogP3: -1.2

Experimental Properties

  • Color/Form: Crystalline solid
  • Density: 1.86
  • Melting Point: 300℃
  • Boiling Point: 503.1 °C at 760 mmHg
  • Flash Point: 258.1 °C
  • Refractive Index: 1.801
  • PSA: 84.66000
  • LogP: -0.67170

5-azacytosine Security Information

  • Storage Condition：Keep container closed when not in use Store in tightly closed containers Store in a cool \ dry \ well ventilated area, away from incompatible substances

5-azacytosine 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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