N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-L-alaninamide
Basic information
- CAS
77471-41-1- Standard SMILES
Cc1cc(=O)oc2cc(NC(=O)[C@H](C)N)ccc12- InChIKey
IWSOXHMIRLSLKT-QMMMGPOBSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-L-alaninamide
- IUPAC
- (2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamide
- English name
- H-Ala-AMC
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26
Names & synonyms
77471-41-1DTXSID20350913N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-L-alaninamideRefChem:362122DTXCID20301980(S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamideH-ALA-AMCMFCD00077086l-alanine-7-amido-4-methylcoumarin(2S)-2-Amino-N-(4-methyl-2-oxo-chromen-7-yl)propanamide(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamideAKOS015893080
Show more names
Ala-MCASWOT-59218ALANINE-AMCL-Ala-AMC·HClAMC-L-alanineALA-MCA TOSYLATEH-Ala-AMC H-Ala-AMCH-ALA-AMC USP/EP/BP
MS-20428L-Alanine-7-amido-4-methylcoumarin hydrochlorideCS-0372839(2S)-2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-PropanamideL-Ala-AMCL-A-AMCL-Ala-7-Amino-4-MethylcoumarinL-Ala-AMC(c){HCl
Database identifiers
- CAS
77471-41-1- PubChem CID
- 688602
- DTXSID
DTXSID20350913- EC Number
- 811-197-5
- Nikkaji
- J307.948A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Boiling point
- 490.1 · 490.1±45.0 °C(Predicted)
- Density
- 1.304 · 1.304
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- pka
- 13.02 · 13.02±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C13H14N2O3/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14/h3-6,8H,14H2,1-2H3,(H,15,17)/t8-/m0/s1
- InChIKey
- IWSOXHMIRLSLKT-QMMMGPOBSA-N
- SMILES
- C(NC1=CC=C2C(=C1)OC(=O)C=C2C)(=O)[C@@H](N)C
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.
Safety data
- safety_code
- 22-24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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