tert-Butyl N-(3-aminopropyl)-N-methylcarbamate

C₉H₂₀N₂O₂CAS 150349-36-3188.27 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₉H₂₀N₂O₂
Molar mass: 188.27 g/mol
Exact mass: 188.1525 Da
logP: 1.20Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H314 Causes severe skin burns and eye damage14.3% of notifiers
H315 Causes skin irritation71.4% of notifiers
H318 Causes serious eye damage28.6% of notifiers
H319 Causes serious eye irritation57.1% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

150349-36-3

SMILES

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

InChIKey

PNQYAMWGTGWJDW-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7,10H2,1-4H3

Weigh it out

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

Work with tert-Butyl N-(3-aminopropyl)-N-methylcarbamate

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 N-(4-aminobutyl)-N-methylcarbamate144222-23-191 % similar N-Boc-N-methylethylenediamine121492-06-681 % similar tert-Butyl (2-bromoethyl)(methyl)carbamate263410-12-463 % similar (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-461 % similar N-Boc-(methylamino)acetaldehyde123387-72-454 % similar 4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester192130-34-054 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-951 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propamocarb24579-73-5 tert-Butyl N-(4-aminobutyl)carbamate68076-36-8

Elsewhere

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