2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)

C7H13NCAS 125678-52-6111.19 g/mol

N
AlkyneTertiary amine

Properties

Molecular formula
C7H13N
Molar mass
111.19 g/mol
Exact mass
111.1048 Da
logP
0.96Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 264 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, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
125678-52-6
SMILES
C#CCN(CC)CC
InChIKey
JZJXKEWVUBVOEH-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3

Weigh it out

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

Work with 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere