N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine

CAS
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CAS
94107-41-2
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Purity
96%
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Catalog Number

ACM94107412

Product Name

N-(2-Bromo-3-methylbutyryl)-3-phenyl-dl-alanine

Structure

Structure

CAS

94107-41-2

Category

Heterocyclic Organic Compound

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

Molecular Weight

328.201620 [g/mol]

Molecular Formula

C₁₄H₁₈BrNO₃

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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 Å².

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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