N-Benzylalanine

• Catalog Number: ACMA00002906
• Category: Ethers
• Molecular Weight: 179.22
• Molecular Formula: C₉H₉NO₃
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the PubChem CID of N-Benzylalanine?

The PubChem CID of N-Benzylalanine is 723764.

What is the molecular formula of N-Benzylalanine?

The molecular formula of N-Benzylalanine is C10H13NO2.

What are the synonyms for N-Benzylalanine?

The synonyms for N-Benzylalanine are (2S)-2-(benzylamino)propanoic acid, 7585-47-9, n-benzyl-l-alanine, and (S)-2-(Benzylamino)propanoic acid.

What is the molecular weight of N-Benzylalanine?

The molecular weight of N-Benzylalanine is 179.22 g/mol.

What is the IUPAC name of N-Benzylalanine?

The IUPAC name of N-Benzylalanine is (2S)-2-(benzylamino)propanoic acid.

What is the InChI of N-Benzylalanine?

The InChI of N-Benzylalanine is InChI=1S/C10H13NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m0/s1.

What is the InChIKey of N-Benzylalanine?

The InChIKey of N-Benzylalanine is RLIHXKPTGKETCC-QMMMGPOBSA-N.

What is the canonical SMILES of N-Benzylalanine?

The canonical SMILES of N-Benzylalanine is CC(C(=O)O)NCC1=CC=CC=C1.

What are the computed properties of N-Benzylalanine?

The computed properties of N-Benzylalanine include molecular weight, XLogP3, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.

Is N-Benzylalanine a canonicalized compound?

Yes, N-Benzylalanine is a canonicalized compound.