AG003Q70

57414-85-4 | Ethyl 3-amino-2-methylbenzoate

AG003Q70

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CAS Number	57414-85-4
Catalog Number	AG003Q70(AGN-PC-0L90IX)
Chemical Name	Ethyl 3-amino-2-methylbenzoate
IUPAC Name	ethyl 3-amino-2-methylbenzoate
InChI	InChI=1S/C10H13NO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3,11H2,1-2H3
InChI Key	RZDRJEHTKWQFQO-UHFFFAOYSA-N
MDL Number	MFCD00957246
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(OCC)C1=CC=CC(N)=C1C
Synonyms	Ethyl 3-Amino-2-methylbenzoate, 57414-85-4, 3-Amino-o-toluic Acid Ethyl Ester, 3-Amino-2-methylbenzoic Acid Ethyl Ester, Ethyl 3-Amino-o-toluate, ACMC-209ly5, AC1N85JX, SCHEMBL717606, Ethyl3-Amino-2-methylbenzoate, CTK6B3658, DTXSID70401843, RZDRJEHTKWQFQO-UHFFFAOYSA-N, ZINC2571285, ANW-32715, CE-494, MFCD00957246, AKOS000431346, AS-8561, RP24071, KS-000016W7, AJ-41888, TC-121460, FT-0640457, ST24046938, Y5475, J-520839, C10H13NO2, Ethyl 3-amino-2-methyl-benzoate, 3-AMINO-O-TOLUICACIDETHYLESTER, CID4313471, A1574,

Complexity	182
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	1
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number