Consensus flow list

S-(+)-2-methyl-n-nitrosopiperidine

fo-93243c1a48dc7751

Identity

Type
Neutral molecule
CAS
36702-44-0
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for S-(+)-2-methyl-n-nitrosopiperidine

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

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SSPVLHFEMWOTGD-LURJTMIESA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3, InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@H]1CCCCN1N=O
IUPAC name chemrof:IUPAC_name (2S)-2-methyl-1-nitroso-piperidine, (2S)-2-methyl-1-nitrosopiperidine
Molecular formula chemrof:molecular_formula C6H12N2O
Molecular mass chemrof:molecular_mass 128.175
Monoisotopic mass chemrof:monoisotopic_mass 128.094963
SMILES string chemrof:smiles_string CC1CCCCN1N=O

Known URLs

5

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=36702-44-0 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020853 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.453H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93193 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q76009680 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4d2995-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-98c5-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e1813d1b-9366-49c1-a641-4925aa0c22d4 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-98c4-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-98c6-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-a086-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-98c2-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-98ca-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-98c3-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-98c8-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-98cb-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-98c7-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
4d9a8790-3ddd-11dd-98c9-0050c2490048 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 
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}

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