| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2005 | 6 | Yes |
Popular Name: beta-Alanine beta-Alanine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 107-95-9 , 14405-06-2 , 64700-13-6 , [107-95-9] , [36321-40-1]
107-95-9; 3-Aminopropanoate; 3-Aminopropionic acid; C00099; beta-Alanine
107-95-9; 3-aminopropanoate; B-ALANINE; beta-alanine
107-95-9; Abufene (TN); D07561; beta-Alanine
3-aminopropanoic acid; H-beta-Ala-OH; bAla; beta-aminopropionic acid; omega-aminopropionic acid
3-ammoniopropanoate; beta-alanine
b-Alanine [107-95-9]; (3-Aminopropionic acid)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.37 | 0.19 | -55.08 | 3 | 3 | 0 | 68 | 89.094 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 197 - 202 | Acros Organics |
| MP | 202 - 204 | Enamine Building Blocks |
| MP | 202 °C (dec.)(lit.) | Indofine |
| MP | 202...204 | Enamine Building Blocks |
| MP | 202° (dec.) | Oakwood Chemical |
| ALOGPS_SOLUBILITY | 4.94e+02 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| UniProt Database Links | ACRB_ASPCL; ACRB_ASPFC; ACRB_ASPFU; ACRB_ASPNC; ACRB_ASPOR; ACRB_ASPTN; ACRB_EMENI; ACRB_NEOFI; ALDH2_YEAST; ALDH3_YEAST; CRNS1_CHICK; CRNS1_HUMAN; CRNS1_MOUSE; DPYD_BOVIN; DPYD_CAEBR; DPYD_CAEEL; DPYD_DANRE; DPYD_DICDI; DPYD_HUMAN; DPYD_MOUSE; DPYD_PIG | ChEBI |
| Melting_Point | ca 205? dec. | Alfa-Aesar |
| Melting_Point | ca 205° dec. | Alfa-Aesar |
| UniProt Database Links | CRNS1_CHICK; CRNS1_HUMAN; CRNS1_MOUSE; GADL1_BOVIN; GADL1_HUMAN; GADL1_MOUSE; GADL1_XENTR; OAPT_PSEPU; PANC1_BRADU; PANC1_FRAAA; PANC2_BRADU; PANC2_FRAAA; PANC3_FRAAA; PANC4_FRAAA; PANCY_ACAM1; PANCY_ANAVT; PANCY_GLOVI; PANCY_NOSS1; PANCY_PROM0; PANCY_PRO | ChEBI |
| Patent Database Links | EP1151994; EP1598081; EP1688126; EP1757290; US2005256058; US2006128963; US2006172952; US2007197575; US2007225380; US2007237834; US2007254831; US2008234289; US2008293094; WO2005007634; WO2005009950; WO2005051304; WO2005058834; WO2005079574; WO2005080353; W | ChEBI |
| SOLUBILITY | H2O: 1 M at 20 °C, clear, colorless | Indofine |
| Warnings | IRRITANT | Matrix Scientific |
| Reactome Database Links | REACT_13561; REACT_13704; REACT_14802; REACT_2183; REACT_25226 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Description | Species |
|---|---|
| Amino acid transport across the plasma membrane | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Pyrimidine catabolism | |
| Reuptake of GABA |
No pre-computed analogs available. Try a structural similarity search.