Boc-4-bromo-D-beta-phenylalanine

• CAS: 261165-06-4
• Catalog Number: ACM261165064
• Category: Bromine Series
• Molecular Weight: 344.2
• Molecular Formula: C₁₄H₁₈BrNO₄
• Synonyms: ZINC02389430, 261165-06-4
• IUPAC Name: (3S)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br
• InChI Key: ZAMLGGRVTAXBHI-NSHDSACASA-M
• Boiling Point: 479.1ºC at 760mmHg
• Melting Point: 143.8ºC
• Flash Point: 243.6ºC
• Density: 1.403g/cm³
• Appearance: white to off-white powder
• Exact Mass: 343.04200
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Safety Description: 24/25
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Boc-4-bromo-D-beta-phenylalanine?

The molecular formula of Boc-4-bromo-D-beta-phenylalanine is C14H18BrNO4.

What is the molecular weight of Boc-4-bromo-D-beta-phenylalanine?

The molecular weight of Boc-4-bromo-D-beta-phenylalanine is 344.20 g/mol.

What is the IUPAC name of Boc-4-bromo-D-beta-phenylalanine?

The IUPAC name of Boc-4-bromo-D-beta-phenylalanine is (3S)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

What is the InChI of Boc-4-bromo-D-beta-phenylalanine?

The InChI of Boc-4-bromo-D-beta-phenylalanine is InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1.

What is the InChIKey of Boc-4-bromo-D-beta-phenylalanine?

The InCHIKey of Boc-4-bromo-D-beta-phenylalanine is ZAMLGGRVTAXBHI-NSHDSACASA-N.

What is the canonical SMILES of Boc-4-bromo-D-beta-phenylalanine?

The canonical SMILES of Boc-4-bromo-D-beta-phenylalanine is CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br.

What is the isomeric SMILES of Boc-4-bromo-D-beta-phenylalanine?

The isomeric SMILES of Boc-4-bromo-D-beta-phenylalanine is CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br.

What is the CAS number of Boc-4-bromo-D-beta-phenylalanine?

The CAS number of Boc-4-bromo-D-beta-phenylalanine is 261165-06-4.

What is the XLogP3-AA value of Boc-4-bromo-D-beta-phenylalanine?

The XLogP3-AA value of Boc-4-bromo-D-beta-phenylalanine is 2.6.

Is Boc-4-bromo-D-beta-phenylalanine a canonicalized compound?

Yes, Boc-4-bromo-D-beta-phenylalanine is a canonicalized compound.