N-Boc-(methylamino)acetaldehyde

C₈H₁₅NO₃CAS 123387-72-4173.21 g/mol

Open in Covalent MOL file

Aldehyde Carbamate

Properties

Molecular formula: C₈H₁₅NO₃
Molar mass: 173.21 g/mol
Exact mass: 173.1052 Da
logP: 1.05Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

123387-72-4

SMILES

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

InChIKey

MSWTVSDFEYSRMQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h6H,5H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl N-methyl-N-(2-oxoethyl)carbamate

Work with N-Boc-(methylamino)acetaldehyde

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

N-Boc-(ethylamino)acetaldehyde315718-06-060 % similar tert-Butyl (2-bromoethyl)(methyl)carbamate263410-12-459 % similar N-Boc-N-methylethylenediamine121492-06-657 % similar (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-457 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-656 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-155 % similar tert-Butyl N-(3-aminopropyl)-N-methylcarbamate150349-36-354 % similar 3-(N-Boc-methylaminomethyl)azetidine1053655-53-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Acetyl-L-leucine1188-21-2 1-N-Boc-3-hydroxyazetidine141699-55-0 (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-4 tert-Butyl N-(2-oxopropyl)carbamate170384-29-9 N-Acetyl-D-leucine19764-30-8 N-Acetyl-L-isoleucine3077-46-1 Methyl 3-morpholinopropionate33611-43-7 6-Acetylaminocaproic acid57-08-9

Elsewhere

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