Consensus flow list

3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminium Chloride

fo-3ca94aa701e39f0e

Identity

Type
Chemical salt
CAS
3327-22-8
EC
222-048-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminium Chloride

Alternative labels

27

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CSPHGSFZFWKVDL-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name (2-Hydroxy-3-chloropropyl)trimethylammonium chloride
Molecular formula chemrof:molecular_formula C6H15Cl2NO
Molecular mass chemrof:molecular_mass 188.098
Monoisotopic mass chemrof:monoisotopic_mass 187.053069
SMILES string chemrof:smiles_string C[N+](C)(C)CC(O)CCl.[Cl-]

Known URLs

9

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=3327-22-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.045 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1669 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027534 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=51216 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1866981 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/APK4X6ZD79 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18732 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q223065 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
479e5574-4fd3-4bf7-91e1-81f940134343 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
714d7d09-24db-4b49-9a97-c4efbe86c91d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
74121a94-5bfa-47fd-aae0-d497626b2894 Environmental → Air → Indoor EF 3.1 kg 4
cecc862e-4067-4a0e-8378-af93a249f855 Environmental → Air → Long-term EF 3.1 kg 0
166184a6-cbdf-4695-9ab6-bdbcbbc63697 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e4ec2b3b-c3ae-45a0-a74e-fcdb362b3904 Environmental → Air → Unknown EF 3.1 kg 4
cae46f17-6c39-4d7f-96bf-b17c9d1b3b87 Environmental → Ground → Agricultural EF 3.1 kg 4
9c90fd0b-a558-4430-b81b-e981d1b09aab Environmental → Ground → Non-agricultural EF 3.1 kg 4
b50af1e4-e669-465b-8541-9573c954d018 Environmental → Ground → Unknown EF 3.1 kg 4
f80a4d0a-8907-4c67-af4d-8dff362e2b28 Environmental → Water → Long-term EF 3.1 kg 0
6b004655-05c3-4f92-9f1d-691dc61d595d Environmental → Water → Ocean EF 3.1 kg 4
a2147db4-3ee3-4ddb-9682-0190310b429c Environmental → Water → Surface water EF 3.1 kg 4
52828156-986d-4f69-ad5f-4fb9bc3483ed Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "properties": {
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