chempirical

6-Acetylaminocaproic acid

C8H15NO3CAS 57-08-9173.21 g/mol

Open in Covalent MOL file
ONHOOH
Carboxylic acid

Properties

Molecular formula
C8H15NO3
Molar mass
173.21 g/mol
Exact mass
173.1052 Da
Melting point
104.5 °C
Boiling point
182–183 °C (at 8 Torr)
logP
1.61Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
57-08-9
SMILES
CC(O)=NCCCCCC(=O)O
InChIKey
WDSCBUNMANHPFH-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

13 names · show all
  • Acexamic acid
  • Hexanoic acid, 6-(acetylamino)-
  • Hexanoic acid, 6-acetamido-
  • 6-(Acetylamino)hexanoic acid
  • 6-Acetamidohexanoic acid
  • ε-Acetamidocaproic acid
  • 6-Acetamidocaproic acid
  • N-Acetyl-ε-aminocaproic acid
  • N-Acetyl-6-aminohexanoic acid
  • Acemin
  • CY 153
  • Acetaminocaproic acid
  • NSC 12945

Work with 6-Acetylaminocaproic 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

4-Acetamidobutyric acid3025-96-586 % similar N-Acetyl-beta-alanine3025-95-472 % similar Hexamethylene bisacetamide3073-59-467 % similar Pimelic acid111-16-056 % similar Sebacic acid111-20-656 % similar Azelaic acid123-99-956 % similar Pentadecanedioic acid1460-18-056 % similar Undecanedioic acid1852-04-656 % similar

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

Same formula

N-Acetyl-L-leucine1188-21-2 N-Boc-(methylamino)acetaldehyde123387-72-4 1-N-Boc-3-hydroxyazetidine141699-55-0 (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-4 tert-Butyl N-(2-oxopropyl)carbamate170384-29-9 N-Acetyl-D-leucine19764-30-8 N-Acetyl-L-isoleucine3077-46-1 Methyl 3-morpholinopropionate33611-43-7

Elsewhere

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