CAS
94105-89-2 Purity
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94105-89-2 Purity
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N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine
CAS
94107-41-2
Catalog Number
ACM94107412
Category
Other Products
Molecular Weight
328.201620 [g/mol]
Molecular Formula
C14H18BrNO3
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Specification
Synonyms
MolPort-003-909-147, NSC163097, EINECS 302-275-5, CID294508, N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine, 94107-41-2
IUPAC Name
2-[(2-bromo-3-methylbutanoyl)amino]-3-phenylpropanoic acid
Canonical SMILES
CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)Br
InChI Key
RGIHFSFFOHEHAX-UHFFFAOYSA-N
Boiling Point
496.6ºC at 760mmHg
Flash Point
254.2ºC
Density
1.389g/cm³
EC Number
302-275-5
Exact Mass
327.04700
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine?
The molecular formula is C14H18BrNO3.
When was N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine created?
It was created on 2005-03-26.
What is the IUPAC Name of N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine?
The IUPAC Name is 2-[(2-bromo-3-methylbutanoyl)amino]-3-phenylpropanoic acid.
What is the InChIKey of N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine?
The InChIKey is RGIHFSFFOHEHAX-UHFFFAOYSA-N.
What is the Canonical SMILES of N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine?
The Canonical SMILES is CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)Br.
What is the molecular weight of N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine?
The molecular weight is 328.20 g/mol.
How many Hydrogen Bond Donor Count does N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine have?
It has 2 Hydrogen Bond Donor Count.
What is the Topological Polar Surface Area of N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine?
The Topological Polar Surface Area is 66.4 Ų.
How many Rotatable Bond Count does N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine have?
It has 6 Rotatable Bond Count.
Is the Compound Is Canonicalized for N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine?
Yes, the Compound Is Canonicalized.
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