Ethyl 4-hydroxybenzimidate hydrochloride

• CAS: 54998-28-6
• Catalog Number: ACM54998286
• Category: Imidates
• Molecular Weight: 201.65
• Molecular Formula: C9H12ClNO2
• Synonyms: Ethyl 4-hydroxybenzimidate hydrochloride, 54998-28-6, SBB057804, 4-(ethoxyiminomethyl)phenol, chloride, ACMC-1AWIZ, SureCN3440191, 324469_ALDRICH, CTK8C5642, AKOS015891357, AK129029, BP-12444, KB-51273, ST51007017, I01-9614
• IUPAC Name: 4-[amino(ethoxy)methylidene]cyclohexa-2,5-dien-1-one;hydrochloride
• Canonical SMILES: CCOC(=C1C=CC(=O)C=C1)N.Cl
• InChI Key: XRVWWFDFIIQIQG-UHFFFAOYSA-N
• Boiling Point: 289.3ºC at 760 mmHg
• Melting Point: 173ºC (dec.)(lit.)
• Flash Point: 128.8ºC
• Exact Mass: 201.05600
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Ethyl 4-hydroxybenzimidate hydrochloride?

The molecular formula is C9H12ClNO2.

What is the molecular weight of Ethyl 4-hydroxybenzimidate hydrochloride?

The molecular weight is 201.65 g/mol.

What is the IUPAC name of Ethyl 4-hydroxybenzimidate hydrochloride?

The IUPAC name is ethyl 4-hydroxybenzenecarboximidate;hydrochloride.

What is the InChI of Ethyl 4-hydroxybenzimidate hydrochloride?

The InChI is InChI=1S/C9H11NO2.ClH/c1-2-12-9(10)7-3-5-8(11)6-4-7;/h3-6,10-11H,2H2,1H3;1H.

What is the InChIKey of Ethyl 4-hydroxybenzimidate hydrochloride?

The InChIKey is VKQSYNIFQPFOQX-UHFFFAOYSA-N.

What is the canonical SMILES of Ethyl 4-hydroxybenzimidate hydrochloride?

The canonical SMILES is CCOC(=N)C1=CC=C(C=C1)O.Cl.

What is the CAS number of Ethyl 4-hydroxybenzimidate hydrochloride?

The CAS number is 54998-28-6.

What is the European Community (EC) number of Ethyl 4-hydroxybenzimidate hydrochloride?

The European Community (EC) number is 625-564-0.

What is the hydrogen bond donor count of Ethyl 4-hydroxybenzimidate hydrochloride?

The hydrogen bond donor count is 3.

Is Ethyl 4-hydroxybenzimidate hydrochloride a canonicalized compound?

Yes, it is a canonicalized compound.