Basic information
- CAS
78682-66-3- Standard SMILES
Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)C(C)C)ccc12- InChIKey
WIGTYBCYMMYYGJ-AWEZNQCLSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- L-Valine 7-amido-4-methylcoumarin
- IUPAC
- (2S)-2-amino-3-methyl-N-(4-methyl-2-oxochromen-7-yl)butanamide
- English name
- H-Val-AMC
- Molecular formula
- C15H18N2O3
- Molecular weight
- 274.32
Names & synonyms
78682-66-3L-Valine 7-amido-4-methylcoumarinH-VAL-AMCH-Val-MCA (free base)(2S)-2-amino-3-methyl-N-(4-methyl-2-oxochromen-7-yl)butanamideMFCD00152188(S)-2-Amino-3-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)butanamideSCHEMBL29536174DTXSID20426788(2S)-2-amino-3-methyl-N-(4-methyl-2-oxo-chromen-7-yl)butanamideAKOS030212947FV110532
Show more names
VALINE-AMCL-VAL-7-AMIDO-4-METHYLCOUMARIN(2S)-2-Amino-3-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)butanamideButanamide, 2-amino-3-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (2S)-
V-2000N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-L-valinamide
Database identifiers
- CAS
78682-66-3- PubChem CID
- 7016002
- DTXSID
DTXSID20426788- Nikkaji
- J851.286H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 495.1 · 495.1±45.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 12.95 · 12.95±0.20(Predicted)
Chemistry & industry
Applications
UsesL-Valine 7-amido-4-methylcoumarin (cas# 78682-66-3) is a compound useful in organic synthesis.
Suppliers12 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
武汉市恒瑞信泰生物医药科技有限公司027-027-65522215 18163303831 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
南昌探真生物技术有限公司13758194781 13173652190 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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