DL-Alaninol

Details

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Internal ID 5b8f9ef3-99d7-4d49-b8e9-d476aec6150e
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols
IUPAC Name 2-aminopropan-1-ol
SMILES (Canonical) CC(CO)N
SMILES (Isomeric) CC(CO)N
InChI InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3
InChI Key BKMMTJMQCTUHRP-UHFFFAOYSA-N
Popularity 145 references in papers

Physical and Chemical Properties

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Molecular Formula C3H9NO
Molecular Weight 75.11 g/mol
Exact Mass 75.068413911 g/mol
Topological Polar Surface Area (TPSA) 46.20 Ų
XlogP -1.00

Synonyms

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6168-72-5
2-Aminopropan-1-ol
2-Amino-1-propanol
2-Aminopropanol
DL-2-Amino-1-propanol
1-Propanol, 2-amino-
1-Hydroxy-2-aminopropane
Propanol, 2-amino-
1-Methyl-2-hydroxyethylamine
78-91-1
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of DL-Alaninol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 96.92% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.94% 96.09%
CHEMBL2885 P07451 Carbonic anhydrase III 90.65% 87.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.70% 97.29%
CHEMBL2581 P07339 Cathepsin D 82.46% 98.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Nelumbo nucifera

Cross-Links

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PubChem 5126
NPASS NPC145217