1-Methylhomopiperazine

C₆H₁₄N₂CAS 4318-37-0114.19 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
logP: -0.09Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor97.7% of notifiers
H302 Harmful if swallowed97.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

4318-37-0

SMILES

CN1CCCNCC1

InChIKey

FXHRAKUEZPSMLJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2/c1-8-5-2-3-7-4-6-8/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

1 names

N-Methylhomopiperazine

Work with 1-Methylhomopiperazine

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

Methylpiperazine109-01-378 % similar 1-Methylpiperazine dihydrochloride34352-59-567 % similar N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine6711-48-455 % similar 1-Methylpyrrolidine120-94-553 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-250 % similar 1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane41203-22-950 % similar N-Methylpiperidine626-67-550 % similar N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine105-84-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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