Brightway Flows 1.0
GitHub

Identity

Type
Neutral molecule
CAS
1477-55-0
EC
216-032-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,3-bis(aminomethyl)benzene

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FDLQZKYLHJJBHD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
IUPAC name chemrof:IUPAC_name 1,3-bis(aminomethyl)benzene
Molecular formula chemrof:molecular_formula C8H12N2
Molecular mass chemrof:molecular_mass 136.198
Monoisotopic mass chemrof:monoisotopic_mass 136.100048
SMILES string chemrof:smiles_string NCc1cccc(CN)c1

Known URLs

14

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1477-55-0 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/PF88DF10.html enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.575 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1462 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9029649 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=61568 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL384146 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1E84B9YLJD enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.174H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15133 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2735 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3267 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q15726051 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/M-Xylylenediamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b88edbd5-684e-44b8-b9cc-d655767e2e43 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bffb0eaf-264f-4d84-b3c2-047441febf7f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4ce2dc2f-cc9f-402a-8146-16c15a394341 Environmental → Air → Indoor EF 3.1 kg 4
6e4e183a-2cd1-467b-a76c-6c2d05c419cc Environmental → Air → Long-term EF 3.1 kg 0
e81abe3a-2e7c-41e9-af9e-5af52fe37c33 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a1e1542e-f2ce-48ae-a3d7-e69e8ddc47ce Environmental → Air → Unknown EF 3.1 kg 4
57fa160b-d9f8-40ae-ad0f-ce987c3c5dec Environmental → Ground → Agricultural EF 3.1 kg 4
0c1dc38d-2c3a-4e1d-a446-e91e7318b8a8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
855e4841-f2a8-40ec-9267-f9a90d63551c Environmental → Ground → Unknown EF 3.1 kg 4
78e19947-3217-420c-a05b-fb7bf2b6a89c Environmental → Water → Long-term EF 3.1 kg 0
60b0b14c-c263-4069-b7bd-8e9ae5853517 Environmental → Water → Ocean EF 3.1 kg 4
0b375216-4f5e-444d-a007-a454c6c50beb Environmental → Water → Surface water EF 3.1 kg 4
c2d34329-41f5-405c-b982-a98d8660dc16 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2002df0953c454dc",
  "prefLabel": [
    {
      "@value": "1,3-bis(aminomethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzenebis(methylamine)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1477-55-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Benzenedimethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Phenylenedimethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Xylylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=1477-55-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Aminomethyl)benzylamine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[3-(Aminomethyl)phenyl]methanamine",
      "@language": "en",
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    },
    {
      "@value": "Aradur 22",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aramine 31-487",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene-1,3-diyldimethanamine",
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    },
    {
      "@value": "Epilink MX",
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      "provenance": {
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    },
    {
      "@value": "Euredur 22",
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    },
    {
      "@value": "m-(α,α′-Diamino)xylene",
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    },
    {
      "@value": "m-Phenylenebis(methylamine)",
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    },
    {
      "@value": "m-Xylene diamine",
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        ],
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      }
    },
    {
      "@value": "m-Xylene-α,α′-diamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Xylylene-α,α′-diamine",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Xylylenediamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MXDA",
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    },
    {
      "@value": "Shoamine X",
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    },
    {
      "@value": "α,α′-Diamino-m-xylene",
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    },
    {
      "@value": "α,α′-m-Xylenediamine",
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  "properties": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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  },
  "references": [
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