Cas no 16676-91-8 (Alanine,3-(methylamino)-)
Alanine,3-(methylamino)- structure
Product Name:Alanine,3-(methylamino)-
CAS No:16676-91-8
MF:C4H10N2O2
MW:118.134400844574
CID:180101
PubChem ID:28558
Update Time:2025-04-19
Alanine,3-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Alanine,3-(methylamino)-
- 2-amino-3-(methylamino)propanoate
- alpha-amino-beta-methylaminopropionate
- 2-Amino-3(methylamino)propionic acid
- 3-(methylamino)alanine
- beta-N-Methylamino-L-alanine
- L-Bmaa
- β-N-Methylamino-L-alanine hydrochloride
- 2-amino-3-(methylamino)-propanoic acid
- SCHEMBL43840
- (+/-)-BMAA HYDROCHLORIDE (SYNTHETIC) SYN THETIC PREPARATION
- FT-0671446
- FT-0771576
- AKOS006230696
- Q2930096
- Propionic acid, 2-amino-3-(methylamino)-, DL-
- 16676-91-8
- CHEMBL1486321
- 2-amino-3-(methylamino)propanoic acid
- 3-(METHYLAMINO)-(DL)-ALANINE
- 17463-44-4
- Propionic acid, alpha-amino-beta-methylamino-, DL-
- NCGC00167766-01
- D-SS-(N-METHYLAMINO)ALANINE
- Propionic acid, alpha-amino-beta-methylamino-
- alpha-Amino-beta-methylaminopropionic acid
- BCP09610
- DL-alpha-Amino-beta-(methylamino)propionic acid
- 2-amino-3-(methylamino)propanoicacid
- DTXSID101292415
- DL-alpha-Amino-beta-methylaminopropionic acid
- Beta-Methylamino-L-alanine
- DL-Alanine, 3-(methylamino)-
- Alanine, 3-(methylamino)-
- Propionic acid, 2-amino-3-(methylamino)-, hydrochloride, D- (8CI)
- HSDB 3461
- 741643-07-2
- 3-(N-METHYLAMINO)-L-ALANINE
-
- Inchi： 1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)
- InChI Key： UJVHVMNGOZXSOZ-UHFFFAOYSA-N
- SMILES： OC(C(CNC)N)=O
Computed Properties
- Exact Mass: 117.06647
- Monoisotopic Mass: 118.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 84.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.8
- Topological Polar Surface Area: 75.4?2
Experimental Properties
- PSA: 78.18
Alanine,3-(methylamino)- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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