N-Boc-diethanolamine

C₉H₁₉NO₄CAS 103898-11-9205.25 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₉H₁₉NO₄
Molar mass: 205.25 g/mol
Exact mass: 205.1314 Da
logP: 0.21Crippen estimate
Polar surface area: 70.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Identifiers

CAS number

103898-11-9

SMILES

CC(C)(C)OC(=O)N(CCO)CCO

InChIKey

KMUNFRBJXIEULW-UHFFFAOYSA-N

InChI

InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10(4-6-11)5-7-12/h11-12H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl N,N-bis(2-hydroxyethyl)carbamate

Work with N-Boc-diethanolamine

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

1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-969 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-867 % similar N-Boc-4-piperidinemethanol123855-51-663 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-163 % similar N-Boc-piperazine57260-71-663 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-363 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-262 % similar 1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-159 % similar

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

Same formula

(S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-1 Panthenol16485-10-2 1,1-Dimethylethyl N-[(1R)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate397246-14-9 (+)-Panthenol81-13-0

Elsewhere

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