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Methyl 1-aminomethyl-cyclohexanecarboxylate

CAT: 0024-sc-263474ASize: 1 gDry Ice: NoHazardous: No
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CAS Number
99092-04-3

Chemical Information

Methyl 1-(aminomethyl)cyclohexane-1-carboxylate
CAS Number99092-04-3
PubChem CID13285793
IUPAC Namemethyl 1-(aminomethyl)cyclohexane-1-carboxylate
Molecular FormulaC9H17NO2
Molecular Weight171.24
XLogP1.1
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
COC(=O)C1(CCCCC1)CN
InChI
InChI=1S/C9H17NO2/c1-12-8(11)9(7-10)5-3-2-4-6-9/h2-7,10H2,1H3
InChIKey
ACVKFIYOVXQWEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 1-(aminomethyl)cyclohexane-1-carboxylate
CAS: 99092-04-3
CID: 13285793
Formula: C9H17NO2
MW: 171.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.24
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass171.125928785
Monoisotopic Mass171.125928785
Topological Polar Surface Area52.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
EBA27588Methyl trans-4- (Aminomethyl) cyclohexanecarboxylate Hydrochloride
MBS5756881Methyl cyclohexanecarboxylate
HY-W007704R-01Methyl cyclohexanecarboxylate (Standard)
OR1004805-01Methyl 1- (3-phenylpropyl) cyclohexanecarboxylate
OR1057850-01Methyl 3- (hydroxymethyl) cyclohexanecarboxylate
OR1101493Methyl 4- (Hydroxymethyl) Cyclohexanecarboxylate
M327123Methyl 4-(Hydroxymethyl)cyclohexanecarboxylate
OR74120-01Methyl 4- (bromomethyl) cyclohexanecarboxylate
OR83878-01Methyl 1- ((tert-butoxycarbonyl) amino) cyclohexanecarboxylate
OR78646-01Methyl 1- (2- (benzyloxy) ethyl) cyclohexanecarboxylate

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