N,N,N′-Trimethyl-1,3-propanediamine

C₆H₁₆N₂CAS 4543-96-8116.21 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₆H₁₆N₂
Molar mass: 116.21 g/mol
Exact mass: 116.1313 Da
Boiling point: 140–142 °C
logP: 0.16Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed87.2% of notifiers
H312 Harmful in contact with skin87.2% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, 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, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

4543-96-8

SMILES

CNCCCN(C)C

InChIKey

SORARJZLMNRBAQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

12 names

1,3-Propanediamine, N1,N1,N3-trimethyl-
1,3-Propanediamine, N,N,N′-trimethyl-
N1,N1,N3-Trimethyl-1,3-propanediamine
N,N,N′-Trimethyltrimethylenediamine
N,N,N′-Trimethyl-1,3-diaminopropane
N-(3-Dimethylaminopropyl)-N-methylamine
(3-Dimethylaminopropyl)methylamine
Methyl[3-(dimethylamino)propyl]amine
3-(Dimethylamino)-N-methylpropylamine
N-(3-Dimethylaminopropyl)methylamine
N,N,N′-Trimethylpropan-1,3-diamine
N1,N1,N3-Trimethylpropane-1,3-diamine

Work with N,N,N′-Trimethyl-1,3-propanediamine

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′-Trimethylethylenediamine142-25-670 % similar N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine6711-48-462 % similar N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-253 % similar N,N'-Dimethyl-1,3-propanediamine111-33-153 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-353 % similar Tetramethylhexamethylenediamine111-18-250 % similar N1,N6-Dimethyl-1,6-hexanediamine13093-04-450 % 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

N,N-Diethylethylenediamine100-36-7 N,N,N′,N′-Tetramethylethylenediamine110-18-9 N,N'-Diethylethylenediamine111-74-0 Hexamethylenediamine124-09-4 N1-Butyl-1,2-ethanediamine19522-69-1 4-Dimethylaminobutylamine3529-10-0

Elsewhere

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