Consensus flow list

N-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine

fo-ae393c0e71739d9e

Identity

Type
NeutralMolecule
CAS
101990-44-7
EC
600-261-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HKSZSGAPTPXYTI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12ClN3/c9-8-2-1-7(6-12-8)5-11-4-3-10/h1-2,6,11H,3-5,10H2
IUPAC name chemrof:IUPAC_name N-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine
Molecular formula chemrof:molecular_formula C8H12ClN3
Molecular mass chemrof:molecular_mass 185.658
Monoisotopic mass chemrof:monoisotopic_mass 185.071975
SMILES string chemrof:smiles_string NCCNCc1ccc(Cl)nc1

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=101990-44-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.108.986 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60893612 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J900.587K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10997737 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81987710 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
23690f27-2e02-4555-b3f4-743c82296063 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6044552b-89b6-4e62-ad4a-a111db96ea84 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
824fca6c-0e81-4b1f-a1c1-d093e1d9ef8a Environmental → Air → Indoor EF 3.1 kg 2
f349681c-e448-4325-a30c-8257d28163bb Environmental → Air → Long-term EF 3.1 kg 0
204913ec-7c1c-4158-8830-bb8ecb50a71b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
90a7c13a-aadb-48b8-8b9f-3a3926499d46 Environmental → Air → Unknown EF 3.1 kg 2
0c3384cf-0324-476d-8767-583ed8fee422 Environmental → Ground → Agricultural EF 3.1 kg 2
aa9ef2dc-2cb6-4ed8-9b7e-24109c62e3d2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
58ca4d96-8abb-4f33-9f75-97b6435b6f94 Environmental → Ground → Unknown EF 3.1 kg 2
357f5732-3a99-484d-a38a-3e4c9ffc51cc Environmental → Water → Long-term EF 3.1 kg 0
493cac28-e12d-42b4-8c96-8b28987e8e42 Environmental → Water → Ocean EF 3.1 kg 2
b1c5fc69-b66c-45de-a1ab-6105eca96e8e Environmental → Water → Surface water EF 3.1 kg 2
011daa2c-c91a-4941-b8cc-9f7cddc0adbc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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