N-Boc-N,N-bis(2-chloroethyl)amine

C₉H₁₇Cl₂NO₂CAS 118753-70-1242.14 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₉H₁₇Cl₂NO₂
Molar mass: 242.14 g/mol
Exact mass: 241.0636 Da
logP: 2.70Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

118753-70-1

SMILES

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

InChIKey

FQZLNQAUUMSUHT-UHFFFAOYSA-N

InChI

InChI=1S/C9H17Cl2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3

Weigh it out

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

Work with N-Boc-N,N-bis(2-chloroethyl)amine

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 1-pyrrolidinecarboxylate86953-79-969 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-867 % similar tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate479057-79-963 % similar N-Boc-diethanolamine103898-11-963 % similar 1-Boc-4-methylpiperazine53788-49-163 % similar tert-Butyl piperazine-1-carboxylate57260-71-663 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-363 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-962 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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