AG003TGO

5661-71-2 | Octamethyleneimine

AG003TGO

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CAS Number	5661-71-2
Catalog Number	AG003TGO(AGN-PC-0JLS7S)
Chemical Name	Octamethyleneimine
EC Number	227-115-0
IUPAC Name	azonane
InChI	InChI=1S/C8H17N/c1-2-4-6-8-9-7-5-3-1/h9H,1-8H2
InChI Key	NRHDCQLCSOWVTF-UHFFFAOYSA-N
MDL Number	MFCD00053378
Molecular Formula	C8H17N
Molecular Weight	127.2273
SMILES	N1CCCCCCCC1
Synonyms	Octamethyleneimine, Azonane, 5661-71-2, Perhydroazonine, Azacyclononane, 1H-Azonine, octahydro-, Octamethylenimine, Octahydro-1H-azonine, NRHDCQLCSOWVTF-UHFFFAOYSA-N, octahydroazonin, Octahydroazonine, 1-Azacyclononane, Azonane #, NSC74469, EINECS 227-115-0, AC1L2Y1R, AC1Q4X4U, NCIOpen2_001490, SCHEMBL22649, CTK1H0746, DTXSID00205179, KS-000017BA, NSC90799, NSC91021, ZINC1620991, 8287AB, ANW-41449, MFCD00053378, NSC-74469, NSC-90799, NSC-91021, AKOS006221000, AJ-28327, FS011461, O0285, 45869-EP2279750A1, 45869-EP2311807A1, Z1203730912, C8H17N, C8-H17-N, CID79742, AR-1H7674, 58265-35-3,

Complexity	53.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.136g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.231g/mol
Monoisotopic Mass	127.136g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H314-H227
Precuationary statements	P501-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Siginal words

Certificate of Analysis

Lot Number