N,N'-Dimethyl-1,3-propanediamine

C₅H₁₄N₂CAS 111-33-1102.18 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₅H₁₄N₂
Molar mass: 102.18 g/mol
Exact mass: 102.1157 Da
Melting point: 193–195 °C
Boiling point: 141–144 °C
logP: -0.18Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H225 Highly Flammable liquid and vapor98.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage68.2% of notifiers

Aggregated from 157 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

111-33-1

SMILES

CNCCCNC

InChIKey

UQUPIHHYKUEXQD-UHFFFAOYSA-N

InChI

InChI=1S/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

N,N′-Dimethyl-1,3-propanediamine
1,3-Propanediamine, N1,N3-dimethyl-
1,3-Propanediamine, N,N′-dimethyl-
N1,N3-Dimethyl-1,3-propanediamine
N,N′-Dimethyl-1,3-diaminopropane
N,N′-Dimethyl-1,3-propylenediamine
N,N′-Dimethyltrimethylenediamine
1,3-Bis(methylamino)propane
N,N′-Dimethylpropylenediamine
N,N′-Dimethylpropanediamine
N1,N3-Dimethylpropane-1,3-diamine

Work with N,N'-Dimethyl-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

N1,N6-Dimethyl-1,6-hexanediamine13093-04-477 % similar N,N′-Dimethylethylenediamine110-70-367 % similar Methylbutylamine110-68-963 % similar N-Methylpentylamine25419-06-159 % similar 3-(Methylamino)-1-propanol42055-15-259 % similar N-Methyl-1,3-propanediamine6291-84-559 % similar N-Methyloctylamine2439-54-556 % similar Methyloctadecylamine2439-55-656 % similar

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

Same formula

N-Ethyl-1,3-propanediamine10563-23-2 Dimethylaminopropylamine109-55-7 N,N,N′-Trimethylethylenediamine142-25-6 N-Isopropylethylenediamine19522-67-9 Cadaverine462-94-2 Bis(dimethylamino)methane51-80-9 2,2-Dimethyl-1,3-propanediamine7328-91-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia