1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea

Catalog Number	ACM1858223876
CAS	1858223-87-6
Synonyms	1-Benzyl-3-[2-[bis(2-methylphenyl)phosphanylamino]cyclohexyl]urea
IUPAC Name	1-benzyl-3-[2-[bis(2-methylphenyl)phosphanylamino]cyclohexyl]urea
Molecular Weight	459.56
Molecular Formula	C28H34N3OP
InChI	WOQUTUYXZNXIBU-UHFFFAOYSA-N
InChI Key	InChI=1S/C28H34N3OP/c1-21-12-6-10-18-26(21)33(27-19-11-7-13-22(27)2)31-25-17-9-8-16-24(25)30-28(32)29-20-23-14-4-3-5-15-23/h3-7,10-15,18-19,24-25,31H,8-9,16-17,20H2,1-2H3,(H2,29,30,32)
Purity	98%
Appearance	Solid
Isomeric SMILES	CC1=CC=CC=C1P(C2=CC=CC=C2C)NC3CCCCC3NC(=O)NCC4=CC=CC=C4

Q&A

What is the molecular formula of 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

The molecular formula is C28H34N3OP.

What is the molecular weight of 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

The molecular weight is 459.6g/mol.

What is the exact mass of 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

The exact mass is 459.24394971.

How many heavy atoms are present in the structure of 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

There are 33 heavy atoms.

What is the Canonical SMILES representation of 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

CC1=CC=CC=C1P(C2=CC=CC=C2C)NC3CCCCC3NC(=O)NCC4=CC=CC=C4

How many rotatable bonds are present in the structure of 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

There are 7 rotatable bonds.

What are some synonyms for 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

Some synonyms include MFCD18802280, CS-0108153, and 1-benzyl-3-[(1S,2S)-2-[bis(2-methylphenyl)phosphanylamino]cyclohexyl]urea.

What is the InChIKey for 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

The InChIKey is WOQUTUYXZNXIBU-DQEYMECFSA-N.

How many hydrogen bond acceptors are present in the structure of 1-Benzyl-3-[(1S,2S)-2-(di-o-tolylphosphinoamino)cyclohexyl]urea?

There are 2 hydrogen bond acceptors.