chempirical

D-Alanine tert-butyl ester hydrochloride

C7H16ClNO2CAS 59531-86-1181.66 g/mol

Open in Covalent MOL file
H2NOOHCl
EsterHalogenPrimary Amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
logP
1.10Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
59531-86-1
SMILES
C[C@@H](N)C(=O)OC(C)(C)C.Cl
InChIKey
WIQIWPPQGWGVHD-NUBCRITNSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1

Weigh it out

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

Names and synonyms

5 names
  • D-Alanine, 1,1-dimethylethyl ester, hydrochloride (1:1)
  • D-Alanine, 1,1-dimethylethyl ester, hydrochloride
  • tert-Butyl (R)-2-aminopropanoate hydrochloride
  • tert-Butyl D-alaninate hydrochloride
  • (R)-Alanine tert-butyl ester hydrochloride

Work with D-Alanine tert-butyl ester 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

Same formula

L-Alanine tert-butyl ester hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 (±)-Valine ethyl ester hydrochloride23358-42-1 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Acetylcholine chloride60-31-1 (3-Carboxypropyl)trimethylammonium chloride6249-56-5 7-Aminoheptanoic acid hydrochloride62643-56-5

Elsewhere

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