Basic information
- CAS
102029-81-2- Standard SMILES
CC(N)[13C](=O)O- InChIKey
QNAYBMKLOCPYGJ-LBPDFUHNSA-N- Molecular formula
- C3H7NO2
- Average molar mass
- 90.09 g/mol
- Monoisotopic mass
- 90.0510333
Names & identifiers
- Preferred name
- DL-Alanine-1-13C
- IUPAC
- 2-amino(113C)propanoic acid
- English name
- DL-Alanine-1-13C
- Molecular formula
- C3H7NO2
- Molecular weight
- 90.09
Names & synonyms
DL-Alanine-1-13C102029-81-2DL-Alanine-13C-12-amino(113C)propanoic acidAlanine-1-13CCCRIS 6559(1-~13~C)AlanineHY-N2362SDTXSID80906990<SC>DL</SC>-Alanine-1-13CDL-Alanine-1-13C, 99 atom % 13CMS-22720
Show more names
DL-ALANINE 13CAlanine-1-13c(9ci)Dl-Alanine-[1-13C] (Standard)
CS-0376195H56675
Database identifiers
- CAS
102029-81-2- PubChem CID
- 3086470
- DTXSID
DTXSID80906990
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 61.8
Physicochemical properties
- Melting point
- 289 °C · 289 °C (dec.) (lit.)
- Density
- 1.161 · 1.161±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- form
- Solid
- color
- White to off-white
- InChI
- 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i3+1
- InChIKey
- QNAYBMKLOCPYGJ-LBPDFUHNSA-N
- SMILES
- CC(N)[13C](O)=O
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 302 · 302-72-7
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesDL-Alanine-13C-1 is the 13C-labeled DL-Alanine. DL-alanine, an amino acid, is the racemic compound of L- and D-alanine. DL-alanine is employed both as a reducing and a capping agent, used with silver nitrate aqueous solutions for the production of nanoparticles. DL-alanine can be used for the research of transition metals chelation, such as Cu(II), Zn(II), Cd(11). DL-alanine, a sweetener, is classed together with glycine, and sodium saccharin. DL-alanine plays a key role in the glucose-alanine cycle between tissues and liver[1][2][3][4][5][6].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers8 total
Aladdin Scientific[email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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