Basic information
- CAS
94099-57-7- Standard SMILES
Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)Cc3ccc(O)cc3)ccc12- InChIKey
NRGJYQDVMUOJLU-INIZCTEOSA-N- Molecular formula
- C19H18N2O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.12665706
Names & identifiers
- Preferred name
- L-Tyrosine 7-amido-4-methylcoumarin
- IUPAC
- (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)propanamide
- English name
- H-Tyr-AMC TFA
- Molecular formula
- C19H18N2O4
- Molecular weight
- 338.36
Names & synonyms
94099-57-7L-Tyrosine 7-amido-4-methylcoumarinDTXSID90428633RefChem:350976DTXCID20379467H-Tyr-AMCH-Tyr-AMC TFA(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)propanamide(S)-2-Amino-3-(4-hydroxyphenyl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)PropanamideMFCD00057306H-Tyr-AMC.TFAorb3210017
Show more names
Tyr-AMCTyr-AMC.TFATYROSINE-AMCTYROSINE-AMC TFAH-TYR-AMC TFA USP/EP/BPL-TYROSINE 7-AMIDO-4-METHYLCOUMARIN TRIFLUOROACETATE
SCHEMBL9333502SCHEMBL29543971N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-L-tyrosinamideAKOS030212946FT110531FT110569G77725(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-methyl-2-oxo-chromen-7-yl)propanamide
Database identifiers
- CAS
94099-57-7- PubChem CID
- 7408692
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 644 · 644.0±55.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 80 % · 80% acetic acid: 50mg/mL, clear to slightly hazy, faintly yellow
- pka
- 9.96 · 9.96±0.15(Predicted)
- form
- powder
- InChI
- 1S/C19H18N2O4/c1-11-8-18(23)25-17-10-13(4-7-15(11)17)21-19(24)16(20)9-12-2-5-14(22)6-3-12/h2-8,10,16,22H,9,20H2,1H3,(H,21,24)/t16-/m0/s1
- InChIKey
- NRGJYQDVMUOJLU-INIZCTEOSA-N
- SMILES
- CC1=CC(=O)Oc2cc(NC(=O)[C@@H](N)Cc3ccc(O)cc3)ccc12
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 83 · NA.83
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- 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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesL-Tyrosine 7-amido-4-methylcoumarin (cas# 94099-57-7) is a compound useful in organic synthesis.
Suppliers27 total
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [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]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [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]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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