chempirical

4-(Aminomethyl)cyclohexanecarboxylic acid

C8H15NO2CAS 701-54-2157.21 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H15NO2
Molar mass
157.21 g/mol
Exact mass
157.1103 Da
Melting point
237–240 °C
logP
0.84Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
701-54-2
SMILES
NCC1CCC(C(=O)O)CC1
InChIKey
GYDJEQRTZSCIOI-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Cyclohexanecarboxylic acid, 4-(aminomethyl)-
  • AMCA
  • 4-(Aminomethyl)-1-cyclohexanecarboxylic acid
  • 1-(Aminomethyl)cyclohexane-4-carboxylic acid
  • p-(Aminomethyl)cyclohexanecarboxylic acid

Work with 4-(Aminomethyl)cyclohexanecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Cyclohexanedicarboxylic acid1076-97-765 % similar 1,4-Cyclohexanedicarboxylic acid619-81-865 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-965 % similar 4-Aminocyclohexanecarboxylic acid1776-53-057 % similar (R)-3-Amino-2-(hydroxymethyl)propanoic acid1217700-75-855 % similar Cyclopentanecarboxylic acid3400-45-154 % similar Cyclobutanecarboxylic acid3721-95-754 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl isonipecotate1126-09-6 Tranexamic acid1197-18-8 (αS)-α-Aminocyclohexaneacetic acid14328-51-9 Ethyl 2-piperidinecarboxylate15862-72-3 1-Methylnipecotinic acid methyl ester1690-72-8 Methyl N-methylisonipecotinate1690-75-1 N-(Butoxymethyl)acrylamide1852-16-0 Diethylacetoacetamide2235-46-3

Elsewhere

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