Sarcosine t-butyl ester hydrochloride

C7H16ClNO2CAS 5616-81-9181.66 g/mol

Open in Covalent MOL file
OONHHCl
EsterSecondary amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
logP
0.97Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5616-81-9
SMILES
CC(C)(C)OC(=O)CNC.Cl
InChIKey
RNLQHMIDSCYLAK-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)5-8-4;/h8H,5H2,1-4H3;1H

Weigh it out

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

Names and synonyms

1 names
  • tert-Butyl sarcosinate hydrochloride

Work with Sarcosine t-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

Similar compounds

Di-tert-butyl iminodiacetate85916-13-862 % similar Methyl sarcosinate hydrochloride13515-93-058 % similar Glycine tert-butyl ester hydrochloride27532-96-356 % similar Sarcosine ethyl ester hydrochloride52605-49-955 % similar H-Beta-ala-otbu hcl58620-93-253 % similar 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-252 % similar tert-Butyl chloroacetate107-59-552 % similar H-Gamma-abu-otbu hcl58640-01-050 % 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 D-Leucine methyl ester hydrochloride5845-53-4

Elsewhere

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