3-Amino-N-isopropylbenzamide

• CAS: 81882-62-4
• Catalog Number: ACM81882624
• Category: Amines
• Molecular Weight: 178.23
• Molecular Formula: C₁₀H₁₄ClN
• Synonyms: ARONIS014022, 3-Amino-N-(isopropyl)benzamide, STOCK6S-86497, EINECS 279-842-8, MolPort-002-790-652, 3-amino-N-(propan-2-yl)benzamide, STK864406, ZINC12138096, CID3019023, 81882-62-4
• IUPAC Name: 3-amino-N-propan-2-ylbenzamide
• Canonical SMILES: CC(C)NC(=O)C1=CC(=CC=C1)N
• InChI Key: GYXJWWPQRQOJRM-UHFFFAOYSA-N
• Boiling Point: 355.7ºC at 760 mmHg
• Flash Point: 168.9ºC
• Density: 1.077g/cm³
• EC Number: 279-842-8
• Exact Mass: 178.11100
• Hazard Statements: H302-H312-H315-H319-H332-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the PubChem CID of the compound?

The PubChem CID of the compound is 3019023.

What is the molecular formula of the compound?

The molecular formula of the compound is C10H14N2O.

What is the molecular weight of the compound?

The molecular weight of the compound is 178.23 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-amino-N-propan-2-ylbenzamide.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3,(H,12,13).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)NC(=O)C1=CC(=CC=C1)N.

What is the CAS number of the compound?

The CAS number of the compound is 81882-62-4.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 0.7.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.