AG003TAR

13110-37-7 | N-PENTYL-4-AMINOBENZOATE

AG003TAR

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CAS Number	13110-37-7
Catalog Number	AG003TAR(AGN-PC-0JKICA)
Chemical Name	N-PENTYL-4-AMINOBENZOATE
IUPAC Name	pentyl 4-aminobenzoate
InChI	InChI=1S/C12H17NO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8H,2-4,9,13H2,1H3
InChI Key	VKYWCHMXHQTCJQ-UHFFFAOYSA-N
MDL Number	MFCD00455845
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
NSC Number	69110
SMILES	O=C(OCCCCC)C1=CC=C(N)C=C1
Synonyms	pentyl 4-aminobenzoate, 13110-37-7, n-Amyl 4-aminobenzoate, Benzoic acid, 4-amino-, pentyl ester, N-PENTYL 4-AMINOBENZOATE, 4-Aminobenzoic acid n-pentyl ester, MFCD00455845, AI3-05691, AC1L19KR, SCHEMBL769120, VKYWCHMXHQTCJQ-UHFFFAOYSA-N, ALBB-025717, NSC69110, ZINC1695472, ZX-AL002083, ZX-AN024230, BBL002769, NSC-69110, SBB043653, STK387970, AKOS000274093, MCULE-5550733483, VZ33120, AJ-30290, CJ-28447, AB0129247, FT-0636796, R3113, ST45028813, C-10466, SR-01000512116, SR-01000512116-1, I14-105969, A0921/0043090, PENTYL P-AMINOBENZOATE, N-PENTYL-4-AMINOBENZOATE, C12H17NO2, CID25706, C12-H17-N-O2,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.273g/mol
Monoisotopic Mass	207.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number