N1,N1,N3,N3-Tetramethyl-1,3-butanediamine

C₈H₂₀N₂CAS 97-84-7144.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₂₀N₂
Molar mass: 144.26 g/mol
Exact mass: 144.1626 Da
Density: 0.8 g/mL
Melting point: 126–127 °C
Boiling point: 55–56 °C
Flash point: 45.6 °C
Water solubility: soluble
logP: 0.89Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor97.8% of notifiers
H302 Harmful if swallowed97.8% of notifiers
H311 Toxic in contact with skin97.8% of notifiers
H314 Causes severe skin burns and eye damage97.8% of notifiers
H331 Toxic if inhaled86.7% of notifiers
H332 Harmful if inhaled11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

97-84-7

SMILES

CC(CCN(C)C)N(C)C

InChIKey

AXFVIWBTKYFOCY-UHFFFAOYSA-N

InChI

InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3

Weigh it out

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

Names and synonyms

11 names

1,3-Butanediamine, N1,N1,N3,N3-tetramethyl-
1,3-Butanediamine, N,N,N′,N′-tetramethyl-
N,N,N′,N′-Tetramethyl-1,3-butanediamine
N,N,N′,N′-Tetramethyl-1,3-diaminobutane
1,3-Bis(dimethylamino)butane
N,N,N′,N′′-Tetramethylbutane-1,3-diamine
Tetramethylbutane-1,3-diamine
N,N,N1,N1-Tetramethyl-1,3-diaminobutane
NSC 35411
1-N,1-N,3-N,3-N-Tetramethylbutane-1,3-diamine
N,N,N',N'-Tetramethyl-1,3-butanediamine

Work with N1,N1,N3,N3-Tetramethyl-1,3-butanediamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N,N′,N′-Tetramethylethylenediamine110-18-940 % similar N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-236 % similar Tetramethylhexamethylenediamine111-18-235 % similar 4,4-Dimethoxy-N,N-dimethyl-1-butanamine19718-92-433 % similar PMDTA3030-47-533 % similar Hexamethyltriethylenetetramine3083-10-133 % similar 2-(Dimethylamino)ethyl chloride107-99-332 % similar 1,1-Dimethylethylenediamine108-00-932 % similar

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

Same formula

N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-3 N,N-Diisopropylethylenediamine121-05-1 N1,N6-Dimethyl-1,6-hexanediamine13093-04-4 N,N-Diethyl-1,4-butanediamine27431-62-5 Octamethylenediamine373-44-4 N,N′-Diisopropylethylenediamine4013-94-9

Elsewhere

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