Cas no 145315-42-0 (1,3-Propanediamine, N-(2-nitrophenyl)-)

1,3-Propanediamine, N-(2-nitrophenyl)- structure
145315-42-0 structure
Product Name:1,3-Propanediamine, N-(2-nitrophenyl)-
CAS No:145315-42-0
MF:C9H13N3O2
MW:195.218421697617
CID:1318974
PubChem ID:3581192
Update Time:2025-04-20

1,3-Propanediamine, N-(2-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediamine, N-(2-nitrophenyl)-
    • N'-(2-nitrophenyl)propane-1,3-diamine
    • AB00998902-01
    • N-(3-aminopropyl)-2-nitroaniline
    • CBMicro_007595
    • CHEMBL1234797
    • AKOS000174020
    • SMSF0003678
    • KSJ78WBX6K
    • N-(2-nitrophenyl)propane-1,3-diamine
    • CB10052
    • 1,3-Propanediamine, N1-(2-nitrophenyl)-
    • Q27097514
    • NS00069754
    • N1-(2-Nitrophenyl)-1,3-propanediamine
    • AB00998902-02
    • DB08291
    • N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
    • N-(2-Nitrophenyl)-1,3-propanediamine
    • N1-(2-NITROPHENYL)PROPANE-1,3-DIAMINE
    • EN300-58236
    • 145315-42-0
    • DTXSID90393857
    • 1wum
    • ALBB-024905
    • 1,3-propanediamine, N-(2-nitrophenyl)-, hydrochloride
    • STK009437
    • Inchi: 1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2
    • InChI Key: GVGDDEYVTBKACE-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=CC=1NCCCN)=O

Computed Properties

  • Exact Mass: 195.10089
  • Monoisotopic Mass: 195.100776666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 181
  • 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
  • XLogP3: 1.6
  • Topological Polar Surface Area: 83.9?2

Experimental Properties

  • PSA: 81.19

1,3-Propanediamine, N-(2-nitrophenyl)- Pricemore >>

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