Cis-4-[Bis (phenylmethyl) amino]cyclohexanemethanol

CAT: 0127-OR1036107-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1036107-01Size:100 mg

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CAS Number

847956-47-2

Purity

98%

Smiles

OC[C@@H]1CC[C@H](N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC1

Chemical Information

trans-4-[Bis(phenylmethyl)amino]cyclohexanemethanol

CAS Number	847956-47-2
PubChem CID	18536643
IUPAC Name	[4-(dibenzylamino)cyclohexyl]methanol
Molecular Formula	C21H27NO
Molecular Weight	309.4
XLogP	4.1
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	292

SMILES

C1CC(CCC1CO)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27NO/c23-17-20-11-13-21(14-12-20)22(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-21,23H,11-17H2

InChIKey

XYZFHMPDCNIBGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 847956-47-2

CID: 18536643

Formula: C21H27NO

MW: 309.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.4
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	309.209264485
Monoisotopic Mass	309.209264485
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1033254-01	Trans-4-[Bis (phenylmethyl) amino]cyclohexanemethanol
OR1038522	Cis-Methyl 4-[bis (phenylmethyl) amino]cyclohexanecarboxylate
OR1034122-01	Trans-4-[Bis (phenylmethyl) amino]cyclohexanecarboxylic acid
OR317052	3-[Bis (phenylmethyl) amino]-3-oxetanecarbonitrile
OR1037052	2-[2-[Bis (phenylmethyl) amino]ethoxy]ethanol
OR1100513-01	α, α-Bis (phenylmethyl) benzeneethanol
OR480593-01	Cyclohexanemethanol
OR1032959-01	Rel- (1R,3R) -3-[Bis (phenylmethyl) amino]cyclohexanol
OR924567-01	4-Methyl-1-cyclohexanemethanol
OR1077645	1,4-Cyclohexanedimethanol Bis (2-ethylhexanoate) (cis- and trans- mixture)

Catalog	Name
HY-Z0694-01	Cis-4-[Bis (phenylmethyl) amino]cyclohexanemethanol
HY-Z0694R-01	Cis-4-[Bis (phenylmethyl) amino]cyclohexanemethanol (Standard)
GTR19281379-01	Trans-4-[Bis (phenylmethyl) amino]cyclohexanecarboxylic acid
MBS6062295-01	rac-cis-3-[(Phenylmethyl)amino]cyclohexanol
sc-477549	Rac-cis-3-[ (Phenylmethyl) amino]cyclohexanol
HY-Z0691R-01	Trans-4-[Bis (phenylmethyl) amino]cyclohexanecarboxylic acid (Standard)
B521450	2-[Bis(phenylmethyl)amino]-1-(3,4-dimethoxyphenyl)-ethanone
414769-01	2-[Bis (phenylmethyl) amino]-1- (3,4-dimethoxyphenyl) -ethanone
423951-01	3-Aminomethyl-3-[bis (phenylmethyl) amino]oxetane
HY-154424	2′-Amino-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-deoxyuridine