AG001VZV

16518-64-2 | Benzoic acid, 3-(dimethylamino)-, methyl ester

AG001VZV

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CAS Number	16518-64-2
Catalog Number	AG001VZV(AGN-PC-0KXM3L)
Chemical Name	Benzoic acid, 3-(dimethylamino)-, methyl ester
IUPAC Name	methyl 3-(dimethylamino)benzoate
InChI	InChI=1S/C10H13NO2/c1-11(2)9-6-4-5-8(7-9)10(12)13-3/h4-7H,1-3H3
InChI Key	CABFTHPIDKWPNQ-UHFFFAOYSA-N
MDL Number	MFCD00144731
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(OC)C1=CC=CC(N(C)C)=C1
Synonyms	methyl 3-(dimethylamino)benzoate, 16518-64-2, 3-(Dimethylamino)benzoic Acid Methyl Ester, Methyl 3-Dimethylaminobenzoate, CABFTHPIDKWPNQ-UHFFFAOYSA-N, Benzoic acid, 3-(dimethylamino)-, methyl ester, 3-(CH3)2NC6H4COOCH3, m-dimethylaminobenzoic acid methyl ester, AC1MTO8C, ACMC-209ds8, SCHEMBL641703, Methyl3-(Dimethylamino)benzoate, CTK4D2015, DTXSID30394449, ZINC2516926, ANW-22134, MFCD00144731, Methyl 3-(N,N-dimethylamino)benzoate, AKOS003885417, KS-0000128J, AJ-36993, TC-110879, D2069, FT-0693537, 3-DIMETHYLAMINOBENZOIC ACID METHYL ESTER, Benzoic acid,3-(dimethylamino)-, methyl ester, I01-7980, InChI=1/C10H13NO2/c1-11(2)9-6-4-5-8(7-9)10(12)13-3/h4-7H,1-3H, CID3627900,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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