N,N′-Bis(3-aminopropyl)ethylenediamine

C₈H₂₂N₄CAS 10563-26-5174.29 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₈H₂₂N₄
Molar mass: 174.29 g/mol
Exact mass: 174.1844 Da
logP: -1.14Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 9

Hazards

Danger

H302 Harmful if swallowed98.6% of notifiers
H310 Fatal in contact with skin19.3% of notifiers
H311 Toxic in contact with skin67% of notifiers
H314 Causes severe skin burns and eye damage81.2% of notifiers
H315 Causes skin irritation17.4% of notifiers
H317 May cause an allergic skin reaction70.2% of notifiers
H318 Causes serious eye damage68.3% of notifiers
H319 Causes serious eye irritation17.4% of notifiers
H332 Harmful if inhaled10.1% of notifiers
H335 May cause respiratory irritation17.9% of notifiers

Aggregated from 218 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

10563-26-5

SMILES

NCCCNCCNCCCN

InChIKey

RXFCIXRFAJRBSG-UHFFFAOYSA-N

InChI

InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2

Weigh it out

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

Names and synonyms

23 names · show all

1,3-Propanediamine, N1,N1′-1,2-ethanediylbis-
1,3-Propanediamine, N,N′′-ethylenebis-
1,3-Propanediamine, N,N′′-1,2-ethanediylbis-
N,N′-Bis(3-aminopropyl)-1,2-diaminoethane
1,5,8,12-Tetraazadodecane
4,7-Diazadecane-1,10-diamine
Bis(3-aminopropyl)ethylenediamine
1,2-Bis(3-aminopropyl)ethylenediamine
1,10-Diamino-4,7-diazadecane
N,N′-Diaminopropylethylenediamine
N,N′-Bis(3-aminopropyl)diaminoethane
N,N′-Bis(3-aminopropyl)-1,2-ethanediamine
N4 Amine
N-[2-(3-Aminopropylamino)ethyl]-1,3-propanediamine
3,2,3-Tet
NSC 180823
N,N′-Di(3-aminopropyl)-1,2-ethylenediamine
1,2-Bis(3-aminopropylamino)ethane
N,N′-Ethane-1,2-diylbis(1,3-propanediamine)
N,N′′-1,2-Ethanediylbis(1,3-propandiamine)
N,N-1,2-Ethanediylbis-1,3-propanediamine
Rhodoline hd-N 4
N,N'-Bis(3-aminopropyl)ethylenediamine

Work with N,N′-Bis(3-aminopropyl)ethylenediamine

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

Norspermidine56-18-893 % similar Norspermine4605-14-587 % similar Spermine71-44-387 % similar Spermidine124-20-981 % similar 3-(Aminopropyl)ethylenediamine13531-52-781 % similar Spermine tetrahydrochloride306-67-272 % similar Spermine dihydrate403982-64-972 % similar Bis(hexamethylene)triamine143-23-771 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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