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C4H14N2
APtclcactv10102420463D 0   0.00000     0.00000
 
 20 19  0  0  0  0  0  0  0  0999 V2000
    0.6520   -0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8411    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411   -0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8774    0.4294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1312   -0.7868    0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1312   -0.7868   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1312    0.7868    0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1312    0.7868   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8774   -0.4294   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0932   -0.2055   -0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0932    0.2055   -0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6930   -1.0280    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930   -1.0280   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    1.0280    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    1.0280   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002    1.1907   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002    1.1907    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -1.1907   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -1.1907    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 11  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  1  0  0  0  0
  4 12  1  0  0  0  0
  8 12  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
M  CHG  2  11   1  12   1
M  END
$$$$

MOL SMILES InChIKey

Compound Description

An alkane-alpha,omega-diammonium(2+) that is the dication of putrescine (1,4-butanediamine) arising from protonation of both primary amino groups; major species at pH 7.3.

Identification

IUPAC Names

butane-1,4-bis(aminium)

Molecular Formula

C4H14N2

Mass

90.16740

Monoisotopic Mass

90.11460

Charge

InChI

InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2

InChIKey

KIDHWZJUCRJVML-UHFFFAOYSA-P

SMILES

[NH3+]CCCC[NH3+]

Synonyms

butane-1,4-diaminium

putrescine

putrescinium dication

putrescinium(2+)

Species

saccharomyces cerevisiae

NCBI:txid4932 24678285

homo sapiens

NCBI:txid9606 10.1038/nbt.2488

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MTBLC326268: 1,4-butanediammonium

An alkane-alpha,omega-diammonium(2+) that is the dication of putrescine (1,4-butanediamine) arising from protonation of both primary amino groups; major species at pH 7.3.

Identification

Species

Europe PubMed Central results

Connect to another EMBL location

MTBLC326268: 1,4-butanediammonium

An alkane-alpha,omega-diammonium(2+) that is the dication of putrescine (1,4-butanediamine) arising from protonation of both primary amino groups; major species at pH 7.3.

Identification

Species

Europe PubMed Central results