Iminoctadine

C₁₈H₄₁N₇CAS 13516-27-3355.58 g/mol

Open in Covalent MOL file

Guanidine Secondary amine

Properties

Molecular formula: C₁₈H₄₁N₇
Molar mass: 355.58 g/mol
Exact mass: 355.3423 Da
logP: 2.22Crippen estimate
Polar surface area: 135.8 Å²
H-bond donors / acceptors: 7 / 3
Rotatable bonds: 18

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H315 Causes skin irritationSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H330 Fatal if inhaledAcute toxicity, inhalation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-087-00-8), via PubChem.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

13516-27-3

SMILES

N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N

InChIKey

RONFGUROBZGJKP-UHFFFAOYSA-N

InChI

InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)

Weigh it out

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

Names and synonyms

6 names

Guanidine, N,N′′′-(iminodi-8,1-octanediyl)bis-
Guanidine, 1,1′-[iminobis(octamethylene)]di-
N,N′′′-(Iminodi-8,1-octanediyl)bis[guanidine]
Bis(8-guanidinooctyl)amine
1,17-Diguanidino-9-azaheptadecane
1,1′-Iminobis(octamethylene)diguanidine

Work with Iminoctadine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dodecylguanidine hydrochloride13590-97-162 % similar 1,4-Diguanidinobutane sulfate14923-17-257 % similar Dodine2439-10-350 % similar Agmatine sulfate2482-00-049 % similar Homoarginine156-86-546 % similar Beta-Guanidinopropionic acid353-09-345 % similar D-Arginine157-06-243 % similar (±)-Arginine7200-25-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook