N-Methyl-1,3-propanediamine

C₄H₁₂N₂CAS 6291-84-588.15 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₄H₁₂N₂
Molar mass: 88.15 g/mol
Exact mass: 88.1000 Da
Density: 0.844 g/mL
Boiling point: 138–139 °C
Flash point: 35.6 °C
Water solubility: ≥ 100 g/L (18.9 °C)
logP: -0.45Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302+H332 Harmful if swallowed or if inhaled68.4% of notifiers
H302 Harmful if swallowed97.8% of notifiers
H311 Toxic in contact with skin21.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage92.7% of notifiers
H332 Harmful if inhaled69.1% of notifiers

Aggregated from 645 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, P264+P265, 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+P235, P405, P501

Identifiers

CAS number

6291-84-5

SMILES

CNCCCN

InChIKey

QHJABUZHRJTCAR-UHFFFAOYSA-N

InChI

InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

19 names · show all

1,3-Propanediamine, N1-methyl-
1,3-Propanediamine, N-methyl-
N1-Methyl-1,3-propanediamine
N-Methyl-1,3-diaminopropane
3-Amino-1-(methylamino)propane
1-Amino-3-(methylamino)propane
3-(Methylamino)propylamine
N-Methylpropylenediamine
N-Methyltrimethylenediamine
N-Methyl-1,3-propylenediamine
1-(N-Methylamino)-3-aminopropane
(3-Aminopropyl)methylamine
Koei 3306
Methylaminopropylamine
3-(Methylamino)-1-propylamine
N1-Methylpropane-1,3-diamine
NSC 8160
N-(3-Aminopropyl)methylamine
N-(3-Aminopropyl)-N-methylamine

Work with N-Methyl-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-Methylethylenediamine109-81-967 % similar N,N'-Dimethyl-1,3-propanediamine111-33-159 % similar N1,N6-Dimethyl-1,6-hexanediamine13093-04-456 % similar Norspermidine56-18-853 % similar N,N′-Bis(3-aminopropyl)ethylenediamine10563-26-550 % similar Norspermine4605-14-550 % similar Spermine71-44-350 % similar N-Ethyl-1,3-propanediamine10563-23-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethylenediamine108-00-9 Putrescine110-60-1 N,N′-Dimethylethylenediamine110-70-3 N-Ethylethylenediamine110-72-5 1,2-Diethylhydrazine1615-80-1 2-Methylpropylenediamine811-93-8

Elsewhere

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