Consensus flow list

Flamprop-m-isopropyl

fo-a5d745feecd58ed2

Identity

Type
Neutral molecule
CAS
63782-90-1
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for Flamprop-m-isopropyl

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

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IKVXBIIHQGXQRQ-CYBMUJFWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3/t13-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)OC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1
IUPAC name chemrof:IUPAC_name D-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, 1-methylethyl ester
Molecular formula chemrof:molecular_formula C19H19ClFNO3
Molecular mass chemrof:molecular_mass 363.816
Monoisotopic mass chemrof:monoisotopic_mass 363.103749
SMILES string chemrof:smiles_string CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1

Known URLs

7

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=63782-90-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.834 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8058245 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I84Y647LPJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J231.778H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94583 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280559 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4d779f-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
3e4d77a1-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
3e4d779e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Long-term EF 3.1 kg 0
3e4d77a0-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
3e4d779d-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5d3-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5d8-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
a6f11deca523104931afce7bb5e4902729ee2ef6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a5d4-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5d6-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5d9-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5d5-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5d7-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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