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Home> Hot Product Listed 2   > 2(1H)-Pyrimidinone,4-amino-1-[3-(2-aminophenoxy)propyl]-5-(3,4-dichlorophenyl)-
7675-83-4 structure

2(1H)-Pyrimidinone,4-amino-1-[3-(2-aminophenoxy)propyl]-5-(3,4-dichlorophenyl)-

Iupac Name:(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
CAS No.:7675-83-4
Molecular Weight:307.307
Molecular Formula:C5H4N4O (isomer)
Names and Identifiers
Synonyms

4-amino-1-[3-(2-aminophenoxy)propyl]-5-(3,4-dichlorophenyl)p 4-amino-1-[3-(2-aminophenoxy)propyl]-5-(3,4-dichlorophenyl)pyrimidin-2-one AC1L7EIO Cytosine,1-[3-(o-aminophenoxy)propyl]-5-(3,4-dichlorophenyl)- (8CI) DTXSID60309223 HE245917 NSC 211360 nsc211360 nsc-211360 ZINC17039891

Inchi
InChI=1S/C6H14N4O2.C4H7NO4/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1
InChkey
SUUWYOYAXFUOLX-ZBRNBAAYSA-N
Canonical Smiles
C(CC(C(=O)O)N)CN=C(N)N.C(C(C(=O)O)N)C(=O)O
Isomers Smiles
C(C[C@H](C(=O)O)N)CN=C(N)N.C(C(C(=O)O)N)C(=O)O
Properties
Flash Point
°C
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:307.307g/mol
  • Molecular Formula:C5H4N4O
  • Compound Is Canonicalized:True
  • Exact Mass:307.149
  • Monoisotopic Mass:307.149
  • Complexity:309
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:228A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBzuAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQBCAJAAgAo AACQLAAAAAEAAAAAAIGAAAACABoAgAAAQAAGEAAAAADbEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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