AG00I9L4

5372-81-6 | Dimethyl 2-aminoterephthalate

AG00I9L4

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CAS Number	5372-81-6
Catalog Number	AG00I9L4(AGN-PC-0JLRXV)
Chemical Name	Dimethyl 2-aminoterephthalate
EC Number	226-364-2
IUPAC Name	dimethyl 2-aminobenzene-1,4-dicarboxylate
InChI	InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3
InChI Key	DSSKDXUDARIMTR-UHFFFAOYSA-N
MDL Number	MFCD00008427
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
NSC Number	20561
SMILES	O=C(OC)C1=CC=C(C(OC)=O)C=C1N
UNII	91SF4E6I9W
Synonyms	Dimethyl 2-aminoterephthalate, 5372-81-6, Dimethyl aminoterephthalate, Dimethyl 3-aminoterephthalate, 1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid, 2-amino-, dimethyl ester, Aminoterephthalic acid dimethyl ester, UNII-91SF4E6I9W, MFCD00008427, 2-Aminoterephthalic acid, dimethyl ester, 3-Amino-4-methoxycarbonylbenzoic acid, methyl ester, dimethyl 2-aminobenzene-1,4-dicarboxylate, Terephthalic acid, amino-, dimethyl ester, EINECS 226-364-2, NSC 20561, 91SF4E6I9W, 1,4-Benzenedicarboxylic acid, 2-amino-, 1,4-dimethyl ester, DSSKDXUDARIMTR-UHFFFAOYSA-N, 2-Aminoterephthalic acid dimethyl ester, Dimethyl aminoterephthalate, 99%, Amino Terephthalate Dimethyl Ester, methyl 2-amino-4-(methoxycarbonyl)benzoate, Dimethylaminoterephthalate, 2-Amino terephthalic acid dimethyl ester, dimethyl-2-aminoterephthalate, ACMC-1ALVY, Dimethyl aminoterephtalate, dimethyl amino-terephthalate, EC 226-364-2, AC1L2X6A, AC1Q5Z8R, SCHEMBL29358, 2-Aminodimethyl terephthalate, dimethyl-2-amino-P-phthalate, MLS000039796, Dimethyl 2-amino-terephthalate, Dimethyl-2-amino-terephthalate, 1, 2-amino-, dimethyl ester, CHEMBL1336047, DTXSID5022225, CTK4J8686, KS-00000WBZ, Dimethyl aminoterephthalate, 97%, ZINC119878, AC1Q4311, ALBB-019835, EBD44942, NSC20561, STR08606, ANW-44733, BBL002387, NSC-20561, SBB000481, STK387128, Aminoterephthalic acid, dimethyl ester, Methyl 2-amino-4-carbomethoxybenzoate, AKOS000118827, CCG-202923, MCULE-1585235991, PS-4583, SB11856, 2-amino-terephthalic acid dimethyl ester, AC-13290, AJ-11632, CJ-00882, M313, SC-26933, SMR000035342, ZB004033, dimethyl 2-amino-1,4-benzenedicarboxylate, DB-002700, LS-184946, TX-017536, CS-0054054, FT-0622299, R1201, ST24024741, ST45028686, TL80090862, AG-205/05989037, SR-01000597198, I01-7996, SR-01000597198-1, W-105711, 2-Amino-1,4-benzenedicarboxylic acid, dimethyl ester, F0850-6740, 1,4-Benzenedicarboxylicacid, 2-amino-, 1,4-dimethyl ester, InChI=1/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H, C10H11NO4, Terephthalic acid, dimethyl ester, CID79336, AR-1I5473, C10-H11-N-O4, ACN-050320, 5461-30-3,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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