chempirical

(S)-N-Boc-2-aminomethylmorpholine

C10H20N2O3CAS 879403-42-6216.28 g/mol

Open in Covalent MOL file
OONOH2N
CarbamateEtherPrimary amine

Properties

Molecular formula
C10H20N2O3
Molar mass
216.28 g/mol
Exact mass
216.1474 Da
logP
0.58Crippen estimate
Polar surface area
64.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

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
879403-42-6
SMILES
CC(C)(C)OC(=O)N1CCO[C@H](C1)CN
InChIKey
MTMBHUYOIZWQAJ-QMMMGPOBSA-N
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1

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

Names and synonyms

1 names
  • (S)-tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

Work with (S)-N-Boc-2-aminomethylmorpholine

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.

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate140645-53-0Stereo not defined

Similar compounds

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate135065-69-971 % similar (R)-N-Boc-2-hydroxymethylmorpholine135065-71-371 % similar tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-871 % similar (R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-362 % similar (S)-1-Boc-3-(aminomethyl)pyrrolidine199175-10-562 % similar 1-Boc-3-(aminomethyl)azetidine325775-44-860 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-459 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-559 % similar

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

Same formula

tert-Butyl (3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate1207853-71-1 tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate205434-75-9 (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-2 4-N-Boc-2-hydroxymethylpiperazine301673-16-5 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-7 3-Aminomethyl-4-boc-morpholine475106-18-4 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate663948-85-4

Elsewhere

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