(3-Aminobenzyl)diethylamine

• CAS: 27958-97-0
• Catalog Number: ACM27958970
• Category: Amines
• Molecular Weight: 178.27
• Molecular Formula: C₁₁H₁₇NO₂
• Synonyms: (3-Aminobenzyl)diethylamine, ST4132071, 27958-97-0, AC1MNVJP, SureCN374433, 3-(diethylaminomethyl)aniline, AC1Q2Z91, 3-[(diethylamino)methyl]aniline, CTK4G0544, A4145/0176625, MolPort-000-929-164, [(3-aminophenyl)methyl]diethylamine, N-(3-aminobenzyl)-N,N-diethylamine, STK665159, AKOS000150360, AG-B-32303, AG-E-89361, MCULE-3942395108, EN300-33517, T7101711
• IUPAC Name: 3-(diethylaminomethyl)aniline
• Canonical SMILES: CCN(CC)CC1=CC(=CC=C1)N
• InChI Key: VGVXOXSRINSIFO-UHFFFAOYSA-N
• Boiling Point: 272ºC at 760 mmHg
• Flash Point: 109.1ºC
• Density: 0.983g/cm³
• Exact Mass: 178.14700
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the IUPAC name of the compound?

3-(diethylaminomethyl)aniline.

What is the molecular formula of the compound?

C11H18N2.

What is the molecular weight of the compound?

178.27 g/mol.

What is the InChI of the compound?

InChI=1S/C11H18N2/c1-3-13(4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9,12H2,1-2H3.

What is the InChIKey of the compound?

VGVXOXSRINSIFO-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

CCN(CC)CC1=CC(=CC=C1)N.

What is the XLogP3 value of the compound?

1.4.

How many hydrogen bond donor counts does the compound have?

1.

How many hydrogen bond acceptor counts does the compound have?

2.

How many rotatable bond counts does the compound have?

4.