1,3-Di-o-tolylguanidine

• CAS: 97-39-2
• Catalog Number: ACM97392-1
• Category: Other Products
• Molecular Weight: 239.32
• Molecular Formula: C15H17N3
• Synonyms: Di-o-tolylguanidine
• IUPAC Name: 1,2-Bis(2-methylphenyl)guanidine
• Canonical SMILES: CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N
• InChI: InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
• InChI Key: OPNUROKCUBTKLF-UHFFFAOYSA-N
• Boiling Point: 371.98 °C
• Melting Point: 176-178 °C
• Density: 1.10 g/cm3
• Complexity: 288
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 239.142247555
• Formal Charge: 0
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 239.142247555
• Physical State: Greyish white powder
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 50.4 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Q&A

What is the molecular formula of 1,3-Di-O-tolylguanidine?

The molecular formula of 1,3-Di-O-tolylguanidine is C15H17N3.

What is the molecular weight of 1,3-Di-O-tolylguanidine?

The molecular weight of 1,3-Di-O-tolylguanidine is 239.32 g/mol.

What is the IUPAC name of 1,3-Di-O-tolylguanidine?

The IUPAC name of 1,3-Di-O-tolylguanidine is 1,2-bis(2-methylphenyl)guanidine.

What is the InChI key of 1,3-Di-O-tolylguanidine?

The InChI key of 1,3-Di-O-tolylguanidine is OPNUROKCUBTKLF-UHFFFAOYSA-N.

What is the canonical SMILES representation of 1,3-Di-O-tolylguanidine?

The canonical SMILES representation of 1,3-Di-O-tolylguanidine is CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.

What is the CAS number of 1,3-Di-O-tolylguanidine?

The CAS number of 1,3-Di-O-tolylguanidine is 97-39-2.

What is the hydrochloride form of 1,3-Di-O-tolylguanidine's related CAS number?

The hydrochloride form of 1,3-Di-O-tolylguanidine's related CAS number is 41130-39-6.

What is the UNII of 1,3-Di-O-tolylguanidine?

The UNII of 1,3-Di-O-tolylguanidine is LL2P01I17O.

How many hydrogen bond donor counts does 1,3-Di-O-tolylguanidine have?

1,3-Di-O-tolylguanidine has 2 hydrogen bond donor counts.

How many rotatable bond counts does 1,3-Di-O-tolylguanidine have?

1,3-Di-O-tolylguanidine has 3 rotatable bond counts.