AG00BY94

39905-50-5 | 4-Pentyloxyaniline

AG00BY94

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CAS Number	39905-50-5
Catalog Number	AG00BY94(AGN-PC-0JM0PS)
Chemical Name	4-Pentyloxyaniline
EC Number	254-695-2
IUPAC Name	4-pentoxyaniline
InChI	InChI=1S/C11H17NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3
InChI Key	QZLNSNIHXKQIIS-UHFFFAOYSA-N
MDL Number	MFCD15143592
Molecular Formula	C11H17NO
Molecular Weight	179.2588
SMILES	NC1=CC=C(OCCCCC)C=C1
Synonyms	4-Pentyloxyaniline, 39905-50-5, 4-(pentyloxy)aniline, p-Pentyloxyaniline, Benzenamine, 4-(pentyloxy)-, 4-pentoxyaniline, 4-n-pentoxyaniline, 4-pentyloxyphenylamine, QZLNSNIHXKQIIS-UHFFFAOYSA-N, FR-1219, EINECS 254-695-2, p-(pentyloxy)aniline, p-(n-Pentoxy)aniline, AC1L3SCC, AC1Q2WOC, 4-(Pentyloxy)benzenamine, p-Aminophenyl pentyl ether, SCHEMBL294772, AC1Q571Y, CHEMBL3277155, DTXSID8068204, CTK1C3919, ZINC2567974, MFCD00007867, SBB008317, AKOS000101082, MCULE-6546828234, ACM39905505, CC-20273, DB-049500, TL8002884, TR-015924, FT-0639591, ST50406524, C-31177, I14-50873, C11H17NO, C11-H17-N-O, CID94500, AR-1L1668, ZINC02567974, 4213-44-9,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.131g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.263g/mol
Monoisotopic Mass	179.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number