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Benzyl(purin-6-yl)amine

fo-7e648b7781a4eb78

Identity

Type
Neutral molecule
CAS
1214-39-7
EC
214-927-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Benzyl(purin-6-yl)amine

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

33

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NWBJYWHLCVSVIJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
IUPAC name chemrof:IUPAC_name Benzyl(purin-6-yl)amine
Molecular formula chemrof:molecular_formula C12H11N5
Molecular mass chemrof:molecular_mass 225.255
Monoisotopic mass chemrof:monoisotopic_mass 225.101445, 225.10145
SMILES string chemrof:smiles_string c1ccc(CNc2ncnc3nc[nH]c23)cc1

Known URLs

27

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
bpdb bpdb:1324 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1214-39-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29022 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.570 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7032630 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=40818 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL228862 enrich_references.pubchem_identifier_url
gmelin gmelin:145502 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KXG6A989PS enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0039238 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.764G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11263 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11263 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000092 enrich_references.chebi_xrefs
lincs.smallmolecule lincs.smallmolecule:LSM-3396 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48475 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-4604 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:EMU enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62389 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=027173 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16691305 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23043692 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24579378 enrich_references.chebi_xrefs
reaxys reaxys:616790 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q419946 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/6-Benzylaminopurine enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/6-benzylaminopurine enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
f8049537-8656-4776-9208-4e852fe7a367 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5babc6ad-8a7e-4a93-83ca-6504a51f401e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e24ddaf0-f454-4001-acfe-660f2ef4a458 Environmental → Air → Indoor EF 3.1 kg 2
e48dfaf5-a61e-4051-b73e-165ceb30d165 Environmental → Air → Long-term EF 3.1 kg 0
72e6a9d3-518c-4280-8e2e-42970888e176 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bee12a49-0efa-43ef-97b8-576e9f0662a8 Environmental → Air → Unknown EF 3.1 kg 2
48c8454e-6ae2-4fc0-8edb-42028857c6c0 Environmental → Ground → Agricultural EF 3.1 kg 2
45f9348a-16bc-4e49-9070-b546e442247b Environmental → Ground → Non-agricultural EF 3.1 kg 2
49feb4a732290445415407ee85869b8877af883c Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
7bf20149-2207-4b16-a8b4-0a5e5db79310 Environmental → Ground → Unknown EF 3.1 kg 2
d369c5aa-5b40-4ba8-9bae-fee06e02f44e Environmental → Water → Long-term EF 3.1 kg 0
4bc627f8-6587-493f-bf1b-cf1b856ac038 Environmental → Water → Ocean EF 3.1 kg 2
c1a410c19a58d29aec67dfafa27a675c0bdb1cc7 Environmental → Water → River agribalyse algorithm addition kg 0
c58f68b5-7055-4406-9610-01b8f8062fd8 Environmental → Water → Surface water EF 3.1 kg 2
d1880a14-eca5-4691-945b-53ad1b1175d8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7e648b7781a4eb78",
  "prefLabel": [
    {
      "@value": "Benzyl(purin-6-yl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1H-Purin-6-amine, N-(phenylmethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-(benzylamino)purine",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-(N-Benzylamino)purine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-[(phenylmethyl)amino]-9H-purine",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "6-BA",
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    },
    {
      "@value": "6-Benzyladenine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Benzylaminoadenine",
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        ],
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      }
    },
    {
      "@value": "6-Benzylaminopurine",
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    },
    {
      "@value": "9H-Purin-6-amine, N-(phenylmethyl)-",
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        ],
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      }
    },
    {
      "@value": "Adenine, N-benzyl-",
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        ],
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      }
    },
    {
      "@value": "Adenine, N6-benzyl-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BA (growth stimulant)",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "BAP (growth stimulant)",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "benzyladenine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzylaminopurine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bongrow",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CyLex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cytokinin 6BA",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Cytokinin B",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MaxCel",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=1214-39-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N(6)-(benzylamino)purine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(Phenylmethyl)-1H-purin-6-amine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(Phenylmethyl)-9H-purin-6-amine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-BENZYL-9H-PURIN-6-AMINE",
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        ],
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      }
    },
    {
      "@value": "N-Benzyladenine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N6-(Benzylamino)purine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N6-Benzyladenine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N6-Benzylaminopurine",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Paturyl",
      "@language": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Paturyl 10WSC",
      "@language": "en",
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      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1214-39-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pro-Shear",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TOG-L 101",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H11N5"
      ],
      "attested_by": {
        "C12H11N5": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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  ]
}

Something wrong here?

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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