Boc-L-4-Bromophenylalaninol

• CAS: 854760-84-2
• Catalog Number: ACM854760842
• Category: Bromine Series
• Molecular Weight: 330.22
• Molecular Formula: C₁₄H₂₀BrNO₃
• Synonyms: BOC-L-4-BR-PHENYLALANINOL;BOC-L-4-BROMO-PHENYLALANINOL;BOC-L-4-BR-PHENYLALALINOL;(2S)-2-(tert-Butoxycarbonylamino)-3-(4-bromophenyl)-1-propanol
• IUPAC Name: tert-butyl N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]carbamate
• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Br)CO
• InChI Key: VGKNVRSIDINOPV-NSHDSACASA-N
• Density: 1.333
• Exact Mass: 329.06300
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of Boc-L-4-Bromophenylalaninol?

The molecular formula of Boc-L-4-Bromophenylalaninol is C14H20BrNO3.

What is the molecular weight of Boc-L-4-Bromophenylalaninol?

The molecular weight of Boc-L-4-Bromophenylalaninol is 330.22 g/mol.

When was Boc-L-4-Bromophenylalaninol created?

Boc-L-4-Bromophenylalaninol was created on August 19, 2012.

What is the IUPAC name of Boc-L-4-Bromophenylalaninol?

The IUPAC name of Boc-L-4-Bromophenylalaninol is tert-butyl N-[(2S)-1-(4-bromophenyl)-3-hydroxypropan-2-yl]carbamate.

What is the InChI of Boc-L-4-Bromophenylalaninol?

The InChI of Boc-L-4-Bromophenylalaninol is InChI=1S/C14H20BrNO3/c1-14(2,3)19-13(18)16-12(9-17)8-10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1.

What is the InChIKey of Boc-L-4-Bromophenylalaninol?

The InChIKey of Boc-L-4-Bromophenylalaninol is WHWUXGXKXNAINU-LBPRGKRZSA-N.

What is the canonical SMILES of Boc-L-4-Bromophenylalaninol?

The canonical SMILES of Boc-L-4-Bromophenylalaninol is CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Br)CO.

What is the isomeric SMILES of Boc-L-4-Bromophenylalaninol?

The isomeric SMILES of Boc-L-4-Bromophenylalaninol is CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Br)CO.

What is the XLogP3-AA value of Boc-L-4-Bromophenylalaninol?

The XLogP3-AA value of Boc-L-4-Bromophenylalaninol is 3.

How many hydrogen bond donor counts does Boc-L-4-Bromophenylalaninol have?

Boc-L-4-Bromophenylalaninol has 2 hydrogen bond donor counts.