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2,6-dimethylcyclohexanamine

fo-7b8585f674a7a118

Identity

Type
Neutral molecule
CAS
6850-63-1
EC
229-942-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,6-dimethylcyclohexanamine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KSGAAWJLYHYMLT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H17N/c1-6-4-3-5-7(2)8(6)9/h6-8H,3-5,9H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,6-dimethylcyclohexanamine
Molecular formula chemrof:molecular_formula C8H17N
Molecular mass chemrof:molecular_mass 127.231
Monoisotopic mass chemrof:monoisotopic_mass 127.1361
SMILES string chemrof:smiles_string CC1CCCC(C)C1N

Known URLs

6

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=6850-63-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.220 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60988158 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J265.930A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/110932 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82976616 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
408cdef9-21e3-4316-a94f-e315ea0a30d5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e9f61884-4caa-415a-a598-7a2119379613 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
dd13040a-c1cd-494f-ae97-37dc10f309d1 Environmental → Air → Indoor EF 3.1 kg 2
4824c907-f583-450a-8fcb-f11ba845f114 Environmental → Air → Long-term EF 3.1 kg 0
3e90fc9d-f567-4a6a-84e2-81f5978d075a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3157d161-6dec-4ca4-84a1-5b5ea3fc2aea Environmental → Air → Unknown EF 3.1 kg 2
6a7709f7-0c88-4e5b-878f-2f343d61ce1e Environmental → Ground → Agricultural EF 3.1 kg 2
309f25ba-b17b-4ea9-8f58-faff2fc880f2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c7b325ba-9a1f-4212-b508-4cff170afd16 Environmental → Ground → Unknown EF 3.1 kg 2
cfe3d25b-8f4b-467d-8d57-dad9f25962aa Environmental → Water → Long-term EF 3.1 kg 0
2709f0e7-49a7-4dfc-ae01-9aaeaef95192 Environmental → Water → Ocean EF 3.1 kg 2
d1300320-b232-4449-9c7b-fbf92a51f6a9 Environmental → Water → Surface water EF 3.1 kg 2
df8b91cf-1ab6-4ec2-997c-93ff9399b425 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7b8585f674a7a118",
  "prefLabel": [
    {
      "@value": "2,6-dimethylcyclohexanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,6-Dimethylcyclohexan-1-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=6850-63-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dimethylcyclohexylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6850-63-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanamine, 2,6-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexylamine, 2,6-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": {
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "127.1361": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J265.930A",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[6850-63-1]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2709f0e7-49a7-4dfc-ae01-9aaeaef95192",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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    }
  },
  "classifications": {
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      "@value": [
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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