Trans-4- ((Dimethylamino) methyl) cyclohexanamine diacetate

CAT: 0127-OR1034470-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1034470-01Size:50 mg

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CAS Number

1356953-44-0

Purity

98%

Smiles

N[C@H]1CC[C@H](CN(C)C)CC1.CC(O)=O.CC(O)=O

Chemical Information

trans-4-((Dimethylamino)methyl)cyclohexanamine diacetate

CAS Number	1356953-44-0
PubChem CID	66715357
IUPAC Name	acetic acid;4-[(dimethylamino)methyl]cyclohexan-1-amine
Molecular Formula	C13H28N2O4
Molecular Weight	276.37
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	135

SMILES

CC(=O)O.CC(=O)O.CN(C)CC1CCC(CC1)N

InChI

InChI=1S/C9H20N2.2C2H4O2/c1-11(2)7-8-3-5-9(10)6-4-8;2*1-2(3)4/h8-9H,3-7,10H2,1-2H3;2*1H3,(H,3,4)

InChIKey

VLYWGPPEUCEXOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1356953-44-0

CID: 66715357

Formula: C13H28N2O4

MW: 276.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.37
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	276.20490738
Monoisotopic Mass	276.20490738
Topological Polar Surface Area	104 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	135
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	3
Compound Is Canonicalized	Yes

Catalog	Name
OR1007514-01	Trans-4-[ (Dimethylamino) methyl]cyclohexanamine dihydrochloride
OR1038377-01	Trans-4- (Benzyloxy) cyclohexanamine
OR1069954-01	Trans-4- (Cyclopropylmethoxy) cyclohexanamine
OR1031777-01	Trans-4- (Cyclopropyloxy) cyclohexanamine
OR1015274-01	Trans-4- (2-Methoxyethoxy) -Cyclohexanamine
PC1026975-01	Trans-4- (Difluoromethyl) cyclohexanamine hydrochloride
OR1078446-01	4- (Aminomethyl) cyclohexanamine (cis- and trans- mixture)
OR1001267-01	Trans-4- (tert-Butyl) cyclohexanamine hydrochloride
OR9810-01	Trans-4- (Dimethylamino) cyclohexanol
OR1848-01	Trans-4- (Dimethylamino) -4'-nitrochalcone

Catalog	Name
WBA42573-01	N-[ (2-Chlorophenyl) methyl]cyclohexanamine
RG-E141083-01	(Dimethylamino) methyl methyl carbonate
YGC02557-01	N-[ (2-Fluorophenyl) methyl]cyclohexanamine hydrochloride
sc-330520	N-[ (1-Methyl-1H-pyrazol-4-yl) methyl]-cyclohexanamine
LBC67079-01	2-Azido-4-methyl-pentanoic acid cyclohexanamine
CWB88101-01	N-[ (5-Phenylthiophen-2-yl) methyl]cyclohexanamine
UYB96061-01	N-Methyl-N- (2-piperidinylmethyl) cyclohexanamine dihydrochloride
444286-01	Chenodeoxycholic acid diacetate methyl ester
DCA36976	2-[ (Dimethylamino) methyl]benzonitrile
KBA52586	4- ((Dimethylamino) methyl) benzonitrile