CAS
93963-16-7 Purity
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93963-16-7 Purity
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Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate
CAS
93963-19-0
Catalog Number
ACM93963190
Category
Other Products
Molecular Weight
386.35500
Molecular Formula
C19H18N2O7
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Specification
Synonyms
Hippuric acid, o-carboxy-α-p-nitrobenzyl-, ethyl ester; Phthalamic acid, N-(α-carboxy-p-nitrophenethyl)-, α-ethyl ester;
IUPAC Name
L-Phenylalanine, N-(2-carboxybenzoyl)-4-nitro-, α-ethyl ester
Boiling Point
653.0±55.0 °C (760 mmHg)
Melting Point
180-182 °C (acetone/ligroine)
Density
1.356±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
386.11100
What is the molecular formula of Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate?
The molecular formula is C19H17N2O7.
When was Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate created and last modified?
It was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC Name of Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate?
The IUPAC Name is (2S)-2-[(2-carboxybenzoyl)amino]-2-[(4-nitrophenyl)methyl]butanoate.
What is the Canonical SMILES of Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate?
The Canonical SMILES is CCC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)[O-])NC(=O)C2=CC=CC=C2C(=O)O.
How many hydrogen bond donor counts does Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate have?
It has 2 hydrogen bond donor counts.
What is the exact mass of Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate?
The exact mass is 385.10357589 g/mol.
How many rotatable bond counts does Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate have?
It has 6 rotatable bond counts.
What is the topological polar surface area of Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate?
The topological polar surface area is 152 Ų.
How many heavy atom counts does Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate have?
It has 28 heavy atom counts.
Is Alpha-ethyl N-(2-carboxybenzoyl)-4-nitro-3-phenyl-L-alaninate a canonicalized compound?
Yes, it is a canonicalized compound.
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CAS
93963-29-2 Purity
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93963-29-2 Purity
96%
