3-Benzyloxyaniline

• CAS: 1484-26-0
• Catalog Number: ACM1484260
• Category: Amines
• Molecular Weight: 199.25
• Molecular Formula: C₁₃H₁₃N
• Synonyms: 3-Benzyloxyaniline, 3-(benzyloxy)aniline, Benzenamine, 3-(phenylmethoxy)-, 3-[(phenylmethyl)oxy]aniline, NCIOpen2_004385, 100803_ALDRICH, ARONIS013448, EINECS 216-056-6, SBB000388, ZINC00119243, AI3-52570, LS-184911, 1484-26-0
• IUPAC Name: 3-(phenylmethoxy)aniline
• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)N
• InChI Key: IGPFOKFDBICQMC-UHFFFAOYSA-N
• Boiling Point: 362.6ºC at 760 mmHg
• Melting Point: 63-67ºC(lit.)
• Flash Point: 184.4ºC
• Density: 1.129 g/cm³
• Appearance: Beige to tan powder
• EC Number: 216-056-6
• Exact Mass: 199.10000
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Benzyloxyaniline?

The molecular formula of 3-Benzyloxyaniline is C13H13NO.

What is the molecular weight of 3-Benzyloxyaniline?

The molecular weight of 3-Benzyloxyaniline is 199.25 g/mol.

What is the IUPAC name of 3-Benzyloxyaniline?

The IUPAC name of 3-Benzyloxyaniline is 3-phenylmethoxyaniline.

What is the InChI of 3-Benzyloxyaniline?

The InChI of 3-Benzyloxyaniline is InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2.

What is the InChIKey of 3-Benzyloxyaniline?

The InChIKey of 3-Benzyloxyaniline is IGPFOKFDBICQMC-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Benzyloxyaniline?

The canonical SMILES of 3-Benzyloxyaniline is C1=CC=C(C=C1)COC2=CC=CC(=C2)N.

What is the CAS number of 3-Benzyloxyaniline?

The CAS number of 3-Benzyloxyaniline is 1484-26-0.

What is the XLogP3 value of 3-Benzyloxyaniline?

The XLogP3 value of 3-Benzyloxyaniline is 3.1.

How many hydrogen bond donor counts does 3-Benzyloxyaniline have?

3-Benzyloxyaniline has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 3-Benzyloxyaniline have?

3-Benzyloxyaniline has 2 hydrogen bond acceptor counts.