N,N,4-Trimethyl-1-piperazineethanamine

C₉H₂₁N₃CAS 104-19-8171.29 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₉H₂₁N₃
Molar mass: 171.29 g/mol
Exact mass: 171.1735 Da
Boiling point: 118–121 °C (at 37 Torr)
logP: -0.20Crippen estimate
Polar surface area: 9.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed34.4% of notifiers
H302 Harmful if swallowed65.6% of notifiers
H311 Toxic in contact with skin50.8% of notifiers
H312 Harmful in contact with skin40.2% of notifiers
H314 Causes severe skin burns and eye damage91% of notifiers
H317 May cause an allergic skin reaction13.2% of notifiers
H318 Causes serious eye damage58.7% of notifiers
H412 Harmful to aquatic life with long lasting effects82% of notifiers

Aggregated from 433 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, P501

Identifiers

CAS number

104-19-8

SMILES

CN(C)CCN1CCN(C)CC1

InChIKey

XFLSMWXCZBIXLV-UHFFFAOYSA-N

InChI

InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3

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Names and synonyms

18 names · show all

1-Piperazineethanamine, N,N,4-trimethyl-
Piperazine, 1-[2-(dimethylamino)ethyl]-4-methyl-
1-[2-(Dimethylamino)ethyl]-4-methylpiperazine
N-Methyl-N′-(dimethylaminoethyl)piperazine
N-Methyl-N′-(β-dimethylaminoethyl)piperazine
S 36081-3
Toyocat NP
Kaolizer 8
N-Methyl-N′-(N,N-dimethylaminoethyl)piperazine
NSC 79879
N,N,N′-Trimethylaminoethylpiperazine
KL 8
Jeffcat TR 52
N-Methyl-N′-(2-dimethylaminoethyl)piperazine
Jeffcat TAP
1-Methyl-4-[2-(dimethylamino)ethyl]piperazine
N-(2-Dimethylaminoethyl)-N′-methylpiperazine
1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine

Work with N,N,4-Trimethyl-1-piperazineethanamine

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

PMDTA3030-47-581 % similar Hexamethyltriethylenetetramine3083-10-181 % similar 2-[[2-(Dimethylamino)ethyl]methylamino]ethanol2212-32-059 % similar 1,4-Dimethylpiperazine106-58-156 % similar N,N,N′,N′-Tetramethylethylenediamine110-18-956 % similar N1-[3-(Dimethylamino)propyl]-N1,N3,N3-trimethyl-1,3-propanediamine3855-32-155 % similar 1-[2-(Dimethylamino)ethyl]piperazine3644-18-655 % similar N-(2-Dimethylaminoethyl)morpholine4385-05-155 % similar

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

Same formula

2-tert-Butyl-1,1,3,3-tetramethylguanidine29166-72-1 N,N-Dimethyl-1-piperazinepropanamine877-96-3

Elsewhere

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