N,N-Dimethyl-1-piperazinepropanamine

C₉H₂₁N₃CAS 877-96-3171.29 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₉H₂₁N₃
Molar mass: 171.29 g/mol
Exact mass: 171.1735 Da
Boiling point: 96–101 °C (at 6 Torr)
logP: -0.16Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

877-96-3

SMILES

CN(C)CCCN1CCNCC1

InChIKey

YJRGRZJKGMBHIB-UHFFFAOYSA-N

InChI

InChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

1-Piperazinepropanamine, N,N-dimethyl-
Piperazine, 1-[3-(dimethylamino)propyl]-
1-[3-(Dimethylamino)propyl]piperazine
4-(3-(Dimethylamino)propyl)piperazine
N,N-Dimethyl-3-(piperazin-1-yl)propan-1-amine
Dimethyl(3-piperazin-1-ylpropyl)amine

Work with N,N-Dimethyl-1-piperazinepropanamine

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-[2-(Dimethylamino)ethyl]piperazine3644-18-673 % similar N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine6711-48-464 % similar 1-(3-Diethylaminopropyl)piperazine22764-55-260 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-559 % similar N,N',N''-Tris(3-dimethylaminopropyl)hexahydro-S-triazine15875-13-557 % similar 1-(2-Piperidinoethyl)piperazine22763-65-157 % similar 1-Butylpiperazine5610-49-156 % similar N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-255 % similar

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

Same formula

N,N,4-Trimethyl-1-piperazineethanamine104-19-8 2-tert-Butyl-1,1,3,3-tetramethylguanidine29166-72-1

Elsewhere

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