1-Aminopropan-2-ol

Details

• Internal ID: 5bd6a8a7-f63d-4338-b99d-30e6a484286f
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols
• IUPAC Name: 1-aminopropan-2-ol
• SMILES (Canonical): CC(CN)O
• SMILES (Isomeric): CC(CN)O
• InChI: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
• InChI Key: HXKKHQJGJAFBHI-UHFFFAOYSA-N
• Popularity: 652 references in papers

Physical and Chemical Properties

• 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

• 1-AMINO-2-PROPANOL
• 78-96-6
• Isopropanolamine
• Amino-2-propanol
• Monoisopropanolamine
• Threamine
• 2-Propanol, 1-amino-
• 2-Hydroxypropylamine
• Mipa
• 1-Methyl-2-aminoethanol
• DL-1-Amino-2-propanol
• 2-Hydroxypropanamine
• 2-Amino-1-methylethanol
• 1-Amino-2-hydroxypropane
• 2-Hydroxy-1-propylamine
• (+/-)-1-Amino-2-propanol
• Mono-iso-propanolamine
• alpha-Aminoisopropyl alcohol
• 1-amino-propan-2-ol
• (RS)-1-amino-2-propanol
• .alpha.-Aminoisopropyl alcohol
• CCRIS 2284
• (RS)-1-Amino-2-hydroxypropane
• HSDB 5224
• (+/-)-Isopropanolamine
• 2-Hydroxy-1-propanamine
• AI3-14653
• NSC 3188
• beta-Aminoisopropanol
• D-1-amino-2-propanol
• D-1-aminopropan-2-ol
• EINECS 201-162-7
• UNII-UE40BY1BZW
• UE40BY1BZW
• BRN 0605275
• DTXSID9021764
• CHEBI:19030
• DL-Isopropanolamine
• NSC-3188
• 2-Propanol, 1-amino- (8CI,9CI)
• 1674-56-2
• 2-Propanol, 1-amino-, (.+/-.)-
• EC 201-162-7
• 4-04-00-01665 (Beilstein Handbook Reference)
• MFCD00008139
• 2-Propanol, 1-amino-, (R)-
• 2-Propanol, 1-amino-, (S)-
• Aminopropan-2-ol
• 1-amino-2 propanol
• 3-amino-2-propanol
• 3-aminopropan-2-ol
• 2-hydroxy-propylamine
• 2-hydroxypropyl-amine
• 1-Aminoisopropylalcohol
• 1-Aminopropanol-(2)
• 1-amino-propane-2-ol
• MPA (CHRIS Code)
• 1-Amin-iso-proylalcohol
• rac-1-amino-2-propanol
• 2-hydroxy-1-aminopropane
• 1- aminopropan- 2- ol
• Amino-2-propanol, 93%
• bmse000305
• (rac)-1-amino-2-propanol
• racemic 1-amino-2-propanol
• 1-amino-2(R,S)-propanol
• WLN: Z1YQ1
• (2rs)-1-amino-2-propanol
• 1-amino-2-Hydroxypropanamine
• (+-)-1-amino-2-propanol
• (2RS) 1-amino-2-propanol
• 2-hydroxy-2-methyl-ethylamine
• 1-Aminopropan-2-ol (MIPA)
• ISOPROPANOLAMINE [INCI]
• CHEMBL326602
• DTXCID901764
• FEMA NO. 3965
• NSC3188
• (.+/-.)-1-Amino-2-propanol
• BCP08083
• 1-AMINO-2-PROPANOL [FHFI]
• 1-AMINO-2-PROPANOL [HSDB]
• Tox21_301704
• BBL027685
• DL-1-Amino-2-propanol, >=90%
• STL308732
• (+/-)-1-AMino-2-propanol--d6
• AKOS000120495
• AKOS016042334
• CS-W016685
• HY-W015969
• LS-1763
• SB44651
• SB44696
• SB83757
• (2-HYDROXY-2-METHYLETHYL)AMINE
• CAS-78-96-6
• NCGC00257540-01
• 1-AMINO-2-PROPANOL, (+/-)-
• SY002691
• A0406
• A1229
• A5358
• AM20100779
• FT-0605031
• FT-0605237
• FT-0625381
• EN300-20160
• C05771
• (+/-)-1-Amino-2-propanol, analytical standard
• Q161580
• J-660020
• F2190-0369
• Z104477092
• (?)-1-Amino-2-propanol, 94%, remainder 2-amino-1-propanol

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.64%	96.09%
CHEMBL2885	P07451	Carbonic anhydrase III	87.09%	87.45%
CHEMBL2581	P07339	Cathepsin D	86.69%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.28%	85.14%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.82%	90.24%

Plants that contains it

• Uncaria macrophylla

Cross-Links

• PubChem: 4
• NPASS: NPC141902