N-Boc-N-methylethylenediamine

C₈H₁₈N₂O₂CAS 121492-06-6174.24 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₈H₁₈N₂O₂
Molar mass: 174.24 g/mol
Exact mass: 174.1368 Da
logP: 0.81Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage88.9% of notifiers
H315 Causes skin irritation11.1% of notifiers
H318 Causes serious eye damage22.2% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

121492-06-6

SMILES

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

InChIKey

QYJVBVKFXDHFPQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3

Weigh it out

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

Work with N-Boc-N-methylethylenediamine

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

tert-Butyl N-(3-aminopropyl)-N-methylcarbamate150349-36-381 % similar 1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate144222-23-179 % similar tert-Butyl (2-bromoethyl)(methyl)carbamate263410-12-467 % similar (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-465 % similar 4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester192130-34-061 % similar N-Boc-(methylamino)acetaldehyde123387-72-457 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-654 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-1 1,4-Piperazinediethanol122-96-3 1-[2-(2-Hydroxyethoxy)ethyl]piperazine13349-82-1 tert-Butyl N-[(2S)-1-aminopropan-2-yl]carbamate146552-71-8 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate16689-35-3 tert-Butyl (3-aminopropyl)carbamate75178-96-0

Elsewhere

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