Completing data — usually done within a minute
Basic information
- CAS
600-21-5- Standard SMILES
CNC(C)C(=O)O- InChIKey
GDFAOVXKHJXLEI-UHFFFAOYSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.06332853
Overview
N-methylalanine is an alanine derivative.
Names & identifiers
- Preferred name
- N-Methyl-DL-Alanine
- IUPAC
- 2-(methylamino)propanoic acid
Names & synonyms
N-Methyl-DL-alanineDTXSID40902458RefChem:1091907DTXCID40870623600-21-52-(methylamino)propanoic acidH-N-Me-DL-Ala-OHH-DL-MeAla-OHMFCD00063136N-Me-DL-Ala-OHMethyl-DL-alanineDL-N-Methylalanine
Show more names
N-Me-DL-Ala-OH.HClCHEBI:143269alanine, N-methyl-, hydrochlorideCS-W011307HY-W010591FD21004N-alpha-Methyl-DL-alanineSY006014
Database identifiers
- CAS
600-21-5- PubChem CID
- 4377
- DTXSID
DTXSID40902458- ChEBI
CHEBI:143269- EC Number
- 857-966-9
- Nikkaji
- J325.082B
Properties
Computed structural propertiesFilling in
- XLogP
- -2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers100 total
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Related reactions
1 records
Compound notes
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