tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

C₁₀H₂₀N₂O₃CAS 140645-53-0216.28 g/mol

Open in Covalent MOL file

Carbamate Ether Primary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

140645-53-0

SMILES

CC(C)(C)OC(=O)N1CCOC(C1)CN

InChIKey

MTMBHUYOIZWQAJ-UHFFFAOYSA-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

Weigh it out

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

Names and synonyms

1 names

2-Aminomethyl-4-boc-morpholine

Work with tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

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.

(S)-N-Boc-2-aminomethylmorpholine879403-42-6Defined stereoisomer

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

PubChem CAS Common Chemistry NIST WebBook