chempirical

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

C9H17Cl2NO2CAS 118753-70-1242.14 g/mol

Open in Covalent MOL file
OONClCl
Alkyl halideCarbamate

Properties

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

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 N-Boc-diethanolamine103898-11-963 % similar N-Boc-piperazine57260-71-663 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-363 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-257 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-857 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook