Consensus flow list

(2s)-2,6-diaminohexanoic Acid Hydrochloride

fo-c075f00692e1ba04

Identity

Type
MolecularComplex
CAS
657-27-2
EC
211-519-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for (2s)-2,6-diaminohexanoic Acid Hydrochloride

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BVHLGVCQOALMSV-JEDNCBNOSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
Isomeric SMILES string chemrof:isomeric_smiles_string Cl.NCCCC[C@H](N)C(=O)O
IUPAC name chemrof:IUPAC_name (2s)-2,6-diaminohexanoic Acid Hydrochloride
Molecular formula chemrof:molecular_formula C6H14N2O2.HCl, C6H15ClN2O2
Molecular mass chemrof:molecular_mass 182.651
Monoisotopic mass chemrof:monoisotopic_mass 182.082205, 182.08221
SMILES string chemrof:smiles_string Cl.NCCCCC(N)C(=O)O

Known URLs

19

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
beilstein beilstein:3563889 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26124-78-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=28826-16-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=657-26-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=657-27-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53633 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.474 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.030.200 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9029198 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760110 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2105886 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JNJ23Q2COM enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0301757 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02279 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C73592 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69568 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10930630 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/6538 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27124123 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7b927f58-e234-4b5d-b181-e8a72162369e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8a468c06-c513-4456-afd9-714e6571c8b2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
406941c9-54ee-453a-952f-08d440e62b20 Environmental → Air → Indoor EF 3.1 kg 2
c3cf088e-e891-4a5d-b164-975caab05194 Environmental → Air → Long-term EF 3.1 kg 0
df8a1fe3-e97a-410a-9ef8-3d67ecce198f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bf9c95e2-2c93-4e85-9d0d-2416f6f45cb6 Environmental → Air → Unknown EF 3.1 kg 2
52bf8315-6c02-4580-a6af-5852207a987a Environmental → Ground → Agricultural EF 3.1 kg 2
5e3f877b-6290-4d14-b282-c52456b6acb0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
94292769-9e17-45d3-af4e-d794f30f4e9f Environmental → Ground → Unknown EF 3.1 kg 2
e143fce3-b8c5-441d-909e-e5b0febcf5e2 Environmental → Water → Long-term EF 3.1 kg 0
60a8e8d7-dad3-4856-9a14-97648835cde6 Environmental → Water → Ocean EF 3.1 kg 2
3031afad-ec21-42a2-9c5c-b5e8d079a0f0 Environmental → Water → Surface water EF 3.1 kg 2
1b9cf968-4f62-4a7b-91ca-9bc4c888af8a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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