AG006ONI

99-27-4 | Dimethyl 5-aminoisophthalate

AG006ONI

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CAS Number	99-27-4
Catalog Number	AG006ONI(AGN-PC-0JL7FB)
Chemical Name	Dimethyl 5-aminoisophthalate
EC Number	202-743-8
IUPAC Name	dimethyl 5-aminobenzene-1,3-dicarboxylate
InChI	InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3
InChI Key	DEKPYXUDJRABNK-UHFFFAOYSA-N
MDL Number	MFCD00008435
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
NSC Number	34721
SMILES	O=C(OC)C1=CC(N)=CC(C(OC)=O)=C1
Synonyms	Dimethyl 5-aminoisophthalate, 99-27-4, 3,5-Dicarbomethoxyaniline, 5-Aminoisophthalic acid dimethyl ester, 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester, Dimethyl 5-aminobenzene-1,3-dicarboxylate, Dimethyl5-aminoisophthalate, 1,3-dimethyl 5-aminobenzene-1,3-dicarboxylate, 5-amino-isophthalic acid dimethyl ester, 5-amino-dimethyl iso-phthalate, MFCD00008435, dimethyl-5-aminoisophthalate, 5-Aminoisophthalic acid, dimethyl ester, Methyl 5-amino-3-(methoxycarbonyl)benzoate, DEKPYXUDJRABNK-UHFFFAOYSA-N, 1,3-Benzenedicarboxylic acid, 5-amino-, 1,3-dimethyl ester, Isophthalic acid, 5-amino-, dimethyl ester, 5-amino-dimethylisophthalate, EINECS 202-743-8, NSC 34721, ACMC-209sc2, AC1Q5Z4O, 5-amino-dimethyl isophthalate, dimethyl 5-amino-isophthalate, KSC495C4J, SCHEMBL111187, 1, 5-amino-, dimethyl ester, AC1L269B, AC1Q431A, ARONIS008420, DTXSID2059190, CTK3J5144, DEKPYXUDJRABNK-UHFFFAOYSA-, KS-00000WPA, ZINC57151, HMS1762G20, Dimethyl 5-aminoisophthalate, 98%, NSC34721, ANW-40992, BBL011618, NSC-34721, SBB056910, STK397449, 5-amino isophtalic acid dimethyl ester, AKOS000119549, MCULE-3703634579, OR01008, RTR-030592, KS-0000409K, 5-amino isophthalic acid, dimethyl ester, 5-amino-iso-phthalic acid dimethyl ester, NCGC00329320-01, AC-11059, AJ-09612, AK-84117, AS-10926, BC678620, BR-84117, CJ-00456, FS000609, SC-15231, SY005368, ZB002012, dimethyl 5-amino-1,3-benzenedicarboxylate, AB0007857, dimethyl-5-amino-benzene-1,3-dicarboxylate, methyl 3-amino-5-(methoxycarbonyl)benzoate, TR-030592, 5-Amino-1,3-isophthalic acid dimethyl ester, FT-0620019, ST24024744, ST45045166, TL80090613, MFCD00008435 (98%), M-5522, 5-amino-2,4-dimethyl-benzene-1,3-dicarboxylate, AB01322768-02, AE-641/00787014, SR-01000039832, 5-Amino-1,3-benzenedicarboxylic acid dimethyl ester, 5-Aminobenzene-1,3-dicarboxylic acid dimethyl ester, Isophthalic acid, 5-amino-, dimethyl ester (8CI), SR-01000039832-1, W-100045, I14-10502, Z56889115, F3034-0059, InChI=1/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3, dimethyl-5-aminoisophthalat, C10H11NO4, Isophthalic acid, dimethyl ester, CID66831, AR-1E9549, C10-H11-N-O4, ACN-028722, A1586, Dimethyl 5-aminoisophthalate, 98% - 100G 100g, 185457-33-4, 6317-01-7,

Complexity	230
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	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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