Propanenitrile, 3,3'-(methylimino)bis-

HCID 73779

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1555-58-4
Standard SMILES: CN(CCC#N)CCC#N
InChIKey: NPMCIHCQSNHBDX-UHFFFAOYSA-N
Molecular formula: C7H11N3
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.09529735

Names & identifiers

Preferred name: Propanenitrile, 3,3'-(methylimino)bis-
IUPAC: 3-[2-cyanoethyl(methyl)amino]propanenitrile
English name: 3,3'-Methylimino-di-propionitrile
Molecular formula: C7H11N3
Molecular weight: 137.18

Names & synonyms

Propanenitrile, 3,3'-(methylimino)bis-Methyl bis(beta-cyanoethyl)amineNSC 81713,3'-(Methylimino)bispropiononitrileN-Methyl-bis-(2-kyanethyl)aminDi(2-cianoetil)metilamminaEINECS 216-305-9Di(2-cianoetil)metilammina [Italian]Propionitrile, 3,3'-(methylimino)di-BRN 1747067N-Methyl-bis-(2-kyanethyl)amin [Czech]2466 I.S.

Show more names

2466i.s.Bis(2-cyanoethyl)MethylaMineMethyl Bis(β-cyanoethyl)aMinemethylbis(beta-cyanoethyl)amineN,N-Bis(2-cyanoethyl)methylamine3,3’-(methylimino)di-propionitril3,3’-Methylimino-di-propionitrile

DTXSID2061773RefChem:869004DTXCID8035007216-305-91555-58-43-[(2-cyanoethyl)(methyl)amino]propanenitrile3,3'-(methylazanediyl)dipropanenitrile3,3'-METHYLIMINO-DI-PROPIONITRILE

Database identifiers

CAS: 1555-58-4
PubChem CID: 73779
DTXSID: DTXSID2061773
EC Number: 216-305-9
Nikkaji: J26.098C

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 48 · 48-49 °C
Boiling point: 242.04 °C · 242.04°C (rough estimate)
Density: 1.0008 · 1.0008 (rough estimate)
refractive index: 1.469 · 1.4690 (estimate)
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 4.5 · 4.50±0.30(Predicted)
color: Pale Yellow
LogP: -0.94 at · -0.94 at 25℃
Dissociation constant: 4.24 at · 4.24 at 25℃
EPA Substance Registry System: 3 · Propanenitrile, 3,3'-(methylimino)bis- (1555-58-4)
Symbol(GHS): 8 · GHS08,GHS06
Signal word: Danger
Hazard statements: 317 · H317-H302-H350-H319-H311
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-P405-P501
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 14-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18550

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS08,GHS06
Hazard statements: H317-H302-H350-H319-H311
REACH Registrations: Active
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-P405-P501