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N-isopropylbenzylamine

fo-108fe01946012061

Identity

Type
Neutral molecule
CAS
102-97-6
EC
203-067-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for N-isopropylbenzylamine

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LYBKPDDZTNUNNM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
IUPAC name chemrof:IUPAC_name N-isopropylbenzylamine
Molecular formula chemrof:molecular_formula C10H15N
Molecular mass chemrof:molecular_mass 149.237
Monoisotopic mass chemrof:monoisotopic_mass 149.120449
SMILES string chemrof:smiles_string CC(C)NCc1ccccc1

Known URLs

10

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=102-97-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.789 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8059265 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60295 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3229275 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/67SYC92FNS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.906H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66024 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q3511281 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isopropylbenzylamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
13466b3f-d252-46b3-99cb-a0954ef26987 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
acbf9e2f-570c-4db4-bcae-79c85d396852 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
70952507-2cb1-4ce4-a0e6-49fb2df26976 Environmental → Air → Indoor EF 3.1 kg 2
d2697a03-2da6-4d10-a68e-b6d5cd0c9c90 Environmental → Air → Long-term EF 3.1 kg 0
dd705545-b1cb-4886-8360-a7928ef5c965 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
86309934-356a-40a6-a10e-26911a3b502e Environmental → Air → Unknown EF 3.1 kg 2
9ec2da8e-6d02-43ad-a293-5aadc66ab60b Environmental → Ground → Agricultural EF 3.1 kg 2
4a4bf81f-834f-442d-92bf-1a83bf7f0560 Environmental → Ground → Non-agricultural EF 3.1 kg 2
04b695d0-f97f-4a54-9a96-53e77f02bddc Environmental → Ground → Unknown EF 3.1 kg 2
0ded866b-f34f-43f4-8849-7645d792fe6e Environmental → Water → Long-term EF 3.1 kg 0
ae280c63-dc0a-4d3b-af94-d8a41a5696d9 Environmental → Water → Ocean EF 3.1 kg 2
0bcbea3f-29fc-4049-9e54-b5f7388b93b7 Environmental → Water → Surface water EF 3.1 kg 2
8c865481-db2c-4203-94af-53cb93cc6153 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-108fe01946012061",
  "prefLabel": [
    {
      "@value": "N-isopropylbenzylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1-Methylethyl)(phenylmethyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=102-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanamine, N-(1-methylethyl)-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzylamine, N-isopropyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzylisopropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isopropylbenzylamine",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "N-(1-Methylethyl)benzenemethanamine",
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        ],
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      }
    },
    {
      "@value": "N-Benzyl-N-isopropylamine",
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    },
    {
      "@value": "N-Benzylisopropylamine",
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    },
    {
      "@value": "N-Benzylpropan-2-amine",
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    {
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}

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