(1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine

Catalog Number	ACM540772369
CAS	540772-36-9
Synonyms	N-[(S)-1-Cyclohexylethyl]-2-(Diphenylphosphino)Benzylamine
IUPAC Name	(1S)-1-cyclohexyl-N-[(2-diphenylphosphanylphenyl)methyl]ethanamine
Molecular Weight	401.52
Molecular Formula	C27H32NP
InChI	KTRFJEDCTHCNJI-QFIPXVFZSA-N
InChI Key	InChI=1S/C27H32NP/c1-22(23-13-5-2-6-14-23)28-21-24-15-11-12-20-27(24)29(25-16-7-3-8-17-25)26-18-9-4-10-19-26/h3-4,7-12,15-20,22-23,28H,2,5-6,13-14,21H2,1H3/t22-/m0/s1
Purity	98%
Isomeric SMILES	C[C@@H](C1CCCCC1)NCC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4

Q&A

What is the molecular formula of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

The molecular formula of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine is C27H32NP.

What is the exact mass of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

The exact mass of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine is 401.227237023 g/mol.

How many defined atom stereocenters does (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine have?

(1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine has 1 defined atom stereocenter.

What is the Canonical SMILES representation of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

The Canonical SMILES representation of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine is CC(C1CCCCC1)NCC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4.

How many heavy atoms are present in (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

(1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine contains 29 heavy atoms.

What is the InChIKey of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

The InChIKey of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine is KTRFJEDCTHCNJI-QFIPXVFZSA-N.

What is the name provided by the depositor-supplied synonym for (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

(1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine is named (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine.

What is the computed property value for XLogP3 for (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

The computed property value for XLogP3 for (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine is 6.8.

How many rotatable bonds are present in (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

(1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine has 7 rotatable bonds.

What is the IUPAC name of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine?

The IUPAC name of (1S)-1-Cyclohexyl-N-(2-(diphenylphosphino)benzyl)ethanamine is (1S)-1-cyclohexyl-N-[(2-diphenylphosphanylphenyl)methyl]ethanamine.