CAS
94-09-7 Purity
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94-09-7 Purity
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Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)-
CAS
94099-57-7
Catalog Number
ACM94099577
Category
Other Products
Molecular Weight
452.38
Molecular Formula
C19H18N2O4
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Specification
Synonyms
L-Tyrosine 7-amido-4-methylcoumarin, AC1OLRVE, T2141_SIGMA, T-9100, (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)propanamide, 94099-57-7
IUPAC Name
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)propanamide
Canonical SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC3=CC=C(C=C3)O)N.C(=O)(C(F)(F)F)O
InChI Key
NRGJYQDVMUOJLU-INIZCTEOSA-N
Boiling Point
644ºC at 760 mmHg
Flash Point
343.3ºC
Density
1.365g/cm³
Exact Mass
338.12700
H-Bond Acceptor
5
H-Bond Donor
3
WGK Germany
3
What is the molecular formula of Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)-?
The molecular formula is C19H18N2O4.
What are some synonyms for Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)-?
Some synonyms include L-Tyrosine 7-amido-4-methylcoumarin, H-Tyr-AMC, and others listed in the reference.
What is the molecular weight of Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)-?
The molecular weight is 338.4 g/mol.
When was Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)- created in PubChem?
It was created on July 29, 2006.
What is the InChIKey for Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)-?
The InChIKey is NRGJYQDVMUOJLU-INIZCTEOSA-N.
How many hydrogen bond donor counts does Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)- have?
It has 3 hydrogen bond donor counts.
What is the topological polar surface area of Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)-?
The topological polar surface area is 102 Å2.
How many defined atom stereocenter counts does Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)- have?
It has 1 defined atom stereocenter count.
Is Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)- a canonicalized compound?
Yes, it is a canonicalized compound.
What is the XLogP3 value of Benzenepropanamide,a-amino-4-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(as)-?
The XLogP3 value is 2.2.
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