7-Aminoheptanoic acid hydrochloride

C7H16ClNO2CAS 62643-56-5181.66 g/mol

Open in Covalent MOL file
HClH2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
Melting point
97–99 °C
logP
1.40Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
62643-56-5
SMILES
Cl.NCCCCCCC(=O)O
InChIKey
RMYDYIDGGSILID-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2.ClH/c8-6-4-2-1-3-5-7(9)10;/h1-6,8H2,(H,9,10);1H

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

Names and synonyms

2 names
  • Heptanoic acid, 7-amino-, hydrochloride (1:1)
  • Heptanoic acid, 7-amino-, hydrochloride

Work with 7-Aminoheptanoic acid hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

7-Aminoheptanoic acid929-17-9Free base

Similar compounds

5-Aminovaleric acid hydrochloride627-95-296 % similar 8-Aminooctanoic acid1002-57-988 % similar 18-Aminooctadecanoic acid17437-24-088 % similar 11-Aminoundecanoic acid2432-99-788 % similar 6-Aminohexanoic acid60-32-288 % similar 12-Aminododecanoic acid693-57-288 % similar 5-Aminovaleric acid660-88-883 % similar γ-Aminobutyric acid56-12-272 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl alaninate hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 N-Me-val-ome hcl3339-44-4 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9

Elsewhere

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