Consensus flow list

2-Aminopropanol

fo-2183ef13971cecec

Identity

Type
Neutral molecule
CAS
2749-11-3
EC
220-388-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
45 across every transformer

Structure

Structure diagram for 2-Aminopropanol

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

Alternative labels

25

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BKMMTJMQCTUHRP-VKHMYHEASA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@H](N)CO
IUPAC name chemrof:IUPAC_name (2S)-2-aminopropan-1-ol
Molecular formula chemrof:molecular_formula C3H9NO
Molecular mass chemrof:molecular_mass 75.111
Monoisotopic mass chemrof:monoisotopic_mass 75.06841, 75.068414
SMILES string chemrof:smiles_string CC(N)CO

Known URLs

28

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=2749-11-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78502 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.535 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901347737 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1229871 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V403GH89L1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.780K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=122958 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-9374 enrich_references.chebi_xrefs
patent patent:CA2706463 enrich_references.chebi_xrefs
patent patent:EP1002121 enrich_references.chebi_xrefs
patent patent:EP2234962 enrich_references.chebi_xrefs
patent patent:KR20100098447 enrich_references.chebi_xrefs
patent patent:US2010240928 enrich_references.chebi_xrefs
patent patent:WO0173038 enrich_references.chebi_xrefs
patent patent:WO2009080505 enrich_references.chebi_xrefs
patent patent:WO9907199 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:2A1 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/80307 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11945718 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11976110 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20519496 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21142024 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27121961 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34153735 enrich_references.chebi_xrefs
reaxys reaxys:1718865 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27147838 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Alaninol enrich_references.pubchem_identifier_url

Elementary flows

11
Flow Context Source Unit CFs
43bfa8ec-7246-4080-805b-b2f406c5baa8 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
280b0876-9c74-47a2-b743-69750b1c7150 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
e3ebbd83-163b-4009-b216-c745832b20d8 Environmental → Air → Long-term EF 3.1 kg 0
d44ae953-6343-4325-b9da-6aa5fb8b075a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
da996a7c-61be-4a3e-a52d-db79e8837b19 Environmental → Air → Unknown EF 3.1 kg 0
2df69346-1781-4e18-ac80-409ea2e6a9b1 Environmental → Water → Long-term EF 3.1 kg 0
3ac9a6f4-c1e9-40cc-b106-0fda97aed5fd Environmental → Water → Ocean EF 3.1 kg 0
29051b83693cd05b4d9a18bd656d86fd17a643fc Environmental → Water → River bafu algorithm addition kg 0
ed0dd388-fa61-4e99-a985-363cbe21c099 Environmental → Water → Surface water EF 3.1 kg 0
0bbfb1f724f70841249b42f1051edad1f505622f Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
d2e896ff-9f9d-4359-8344-78097302779f Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (45 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "1-Propanol, 2-amino-, (2S)-",
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      "@value": "1-Propanol, 2-amino-, (S)-",
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    },
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      "@value": "[(S)-1-(Hydroxymethyl)ethyl]amine",
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      "@value": "L-2-Amino-1-propanol",
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  "properties": {
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