5-Amino-2-ethoxybenzonitrile

• CAS: 1020046-39-2
• Catalog Number: ACM1020046392
• Category: Other Products; Ethers
• Molecular Weight: 162.19
• Molecular Formula: C9H10N2O
• Synonyms: 5-amino-2-ethoxybenzonitrile, ALBB-004941, ZERO/010064, STK360708, ZINC14988638, 1020046-39-2
• IUPAC Name: 5-amino-2-ethoxybenzonitrile
• Canonical SMILES: CCOC1=C(C=C(C=C1)N)C#N
• InChI Key: RIPHVNUYRKOROW-UHFFFAOYSA-N
• Exact Mass: 162.07900
• Hazard Statements: H302
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is 5-amino-2-ethoxybenzonitrile.

What is the molecular formula of the compound?

The molecular formula of the compound is C9H10N2O.

What is the molecular weight of the compound?

The molecular weight of the compound is 162.19 g/mol.

What is the InChIKey of the compound?

The InChIKey of the compound is RIPHVNUYRKOROW-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCOC1=C(C=C(C=C1)N)C#N.

What is the CAS number of the compound?

The CAS number of the compound is 1020046-39-2.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.