AG00EKOK

59507-44-7 | 1-(4-Nitrobenzyl)piperidine

AG00EKOK

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CAS Number	59507-44-7
Catalog Number	AG00EKOK(AGN-PC-0OCX01)
Chemical Name	1-(4-Nitrobenzyl)piperidine
IUPAC Name	1-[(4-nitrophenyl)methyl]piperidine
InChI	InChI=1S/C12H16N2O2/c15-14(16)12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7H,1-3,8-10H2
InChI Key	PAMJENUKCYUKLC-UHFFFAOYSA-N
MDL Number	MFCD01453278
Molecular Formula	C12H16N2O2
Molecular Weight	220.2676
SMILES	O=[N+](C1=CC=C(C=C1)CN2CCCCC2)[O-]
Synonyms	1-(4-nitrobenzyl)piperidine, 59507-44-7, 1-[(4-nitrophenyl)methyl]piperidine, Piperidine, 1-[(4-nitrophenyl)methyl]-, PAMJENUKCYUKLC-UHFFFAOYSA-N, 1-[(4-Nitrophenyl)methyl]-piperidine, 1-(4-nitrophenylmethyl)piperidine, 4-nitrobenzylpiperadine, 4-nitrobenzylpiperidine, AC1LFTBT, Cambridge id 5430648, Oprea1_443263, SCHEMBL1805498, 1-(4-nitro-benzyl)-piperidine, CTK1E7240, DTXSID60354819, ZINC4989036, 1-(Piperidinomethyl)-4-nitrobenzene, KM0315, MFCD01453278, AKOS015905105, MCULE-2648986075, 1-[(4-nitrophenyl)-methyl]-piperidine, 4-(piperidin-1-yl-methyl)-nitrobenzene, AS-40151, BP-20135, V6826, AB00085336-01, SR-01000209160, SR-01000209160-1, I14-23721, C12H16N2O2, CID783541,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.121g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.272g/mol
Monoisotopic Mass	220.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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