2-Aminohexadecanoic acid

C₁₆H₃₃NO₂CAS 7769-79-1271.44 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₆H₃₃NO₂
Molar mass: 271.44 g/mol
Exact mass: 271.2511 Da
Melting point: 220–225 °C
logP: 4.49Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 14

Hazards

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

Identifiers

CAS number

7769-79-1

SMILES

CCCCCCCCCCCCCCC(N)C(=O)O

InChIKey

XELWBYCKQCNAGY-UHFFFAOYSA-N

InChI

InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14,17H2,1H3,(H,18,19)

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

Names and synonyms

3 names

Hexadecanoic acid, 2-amino-
α-Aminopalmitic acid
2-Azaniumylhexadecanoate

Work with 2-Aminohexadecanoic 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

(±)-2-Aminooctanoic acid644-90-6100 % similar 2-Aminoheptanoic acid1115-90-896 % similar D-Norleucine327-56-086 % similar Norleucine327-57-186 % similar (±)-Norleucine616-06-886 % similar D-Norvaline2013-12-972 % similar Norvaline6600-40-472 % similar (±)-Norvaline760-78-172 % similar

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

Same formula

Lauryldimethylaminoacetic acid betaine683-10-3

Elsewhere

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