AG003T9K

40510-21-2 | N1-octylethane-1,2-diamine

AG003T9K

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CAS Number	40510-21-2
Catalog Number	AG003T9K(AGN-PC-0L6G6V)
Chemical Name	N1-octylethane-1,2-diamine
IUPAC Name	N'-octylethane-1,2-diamine
InChI	InChI=1S/C10H24N2/c1-2-3-4-5-6-7-9-12-10-8-11/h12H,2-11H2,1H3
InChI Key	UTPUPJKKYXJFPX-UHFFFAOYSA-N
MDL Number	MFCD03551912
Molecular Formula	C10H24N2
Molecular Weight	172.3110
SMILES	CCCCCCCCNCCN
Synonyms	N1-octylethane-1,2-diamine, 40510-21-2, N-OCTYL-1,2-ETHANEDIAMINE, N-OCTYL-ETHYLENE-1,2-DIAMINE, N-octylethylenediamine, N'-octylethane-1,2-diamine, 1,2-Ethanediamine, N-octyl-, 2-aminoethyl-octyl-amine, AC1N4Z6S, SCHEMBL474235, N~1~-octyl-1,2-ethanediamine, DTXSID80400125, UTPUPJKKYXJFPX-UHFFFAOYSA-N, KS-000009JS, 5469AB, MFCD03551912, WT1218, ZINC22027805, AKOS010109834, AB15567, CS-W003090, MCULE-7559905889, QC-9891, TRA0077158, ACM40510212, AK115972, CS-11433, SY020672, AB0054972, AX8028649, TC-308745, 4CH-001921, AM20130031, FT-0693780, ST24048739, K-8646, MFCD03551912 (95+%), A825145, N-octylethane-1,2-diamine, C10H24N2, CID4163516, 3215-64-3,

Complexity	74.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.194g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.316g/mol
Monoisotopic Mass	172.194g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	38A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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