AG003LGV

79098-13-8 | 4-Hexadecylaniline

AG003LGV

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CAS Number	79098-13-8
Catalog Number	AG003LGV(AGN-PC-0JT3CM)
Chemical Name	4-Hexadecylaniline
IUPAC Name	4-hexadecylaniline
InChI	InChI=1S/C22H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(23)20-18-21/h17-20H,2-16,23H2,1H3
InChI Key	RBCCQATUVPNPGQ-UHFFFAOYSA-N
MDL Number	MFCD00007920
Molecular Formula	C22H39N
Molecular Weight	317.5518
SMILES	CCCCCCCCCCCCCCCCc1ccc(cc1)N
Synonyms	4-hexadecylaniline, 4-Hexadecylaniline, 79098-13-8, 4-hexadecylanilin, 4-n-Hexadecylaniline, ACMC-1BDMZ, AC1LC9BA, Benzenamine,4-hexadecyl-, 4-Hexadecylaniline, 97%, AC1Q53CT, SCHEMBL593206, CTK5E6444, DTXSID30341271, RBCCQATUVPNPGQ-UHFFFAOYSA-N, ZINC6830024, MFCD00007920, AKOS015916700, CC-19387, DB-056348, TC-168813, TL8005367, FT-0641707, 098H138, C-31190, I14-50195, 4-HEXYLDECYLANILINE, AR-1G2503, CID571906, 803-10-1,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.308g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	317.561g/mol
Monoisotopic Mass	317.308g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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