4-tert-Butylcyclohexanamine

CAT: 0024-sc-317091Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-317091Size:500 mg

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CAS Number

5400-88-4

Chemical Information

4-tert-Butylcyclohexylamine

structure given in first source

CAS Number	5400-88-4
PubChem CID	79396
IUPAC Name	4-tert-butylcyclohexan-1-amine
Molecular Formula	C10H21N
Molecular Weight	155.28
XLogP	2.8
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	115

SMILES

CC(C)(C)C1CCC(CC1)N

InChI

InChI=1S/C10H21N/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7,11H2,1-3H3

InChIKey

BGNLXETYTAAURD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5400-88-4

CID: 79396

Formula: C10H21N

MW: 155.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.28
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	155.167399674
Monoisotopic Mass	155.167399674
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	115
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
sc-308691	2-tert-Butylcyclohexanamine
sc-277661	4-tert-Butylcyclohexylamine, cis + trans
sc-250491	N-tert-Butylcyclohexylamine
sc-267744	4-tert-Butoxybenzonitrile
sc-397752	4-tert-Butylbenzenethiol
sc-323255A	4-tert-Butylbenzhydrol
sc-233001	4-tert-Butyliodobenzene
sc-317090	4-tert-Butylbenzenesulfonohydrazide
sc-323255	4-tert-Butylbenzhydrol
sc-254726A	4-tert-Butylcatechol

Catalog	Name
FB113239	4-tert-Butylcyclohexanamine
OR1061199-01	Cis-4-tert-Butylcyclohexanamine
LCA27899-01	N-Butylcyclohexanamine hydrochloride
A4722-500	4-tert-Octylphenol
FB67936-01	4-tert-Butoxybenzaldehyde
Fr21234-01	4-tert-Butylbenzenesulfonamide
433457-01	4-tert-Butylpyridine
433455-01	4-tert-Butylphenol
291817-01	4-Tert-butyltoluene
161565	4-tert-Amylphenol