AG003Q6E

37466-90-3 | Ethyl 3,4-diaminobenzoate

AG003Q6E

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CAS Number	37466-90-3
Catalog Number	AG003Q6E(AGN-PC-0JRGXG)
Chemical Name	Ethyl 3,4-diaminobenzoate
IUPAC Name	ethyl 3,4-diaminobenzoate
InChI	InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3
InChI Key	NUJBTXFFJUGENN-UHFFFAOYSA-N
MDL Number	MFCD00179337
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	O=C(OCC)C1=CC=C(N)C(N)=C1
Synonyms	ethyl 3,4-diaminobenzoate, 37466-90-3, 3,4-diaminobenzoic acid ethyl ester, MFCD00179337, 3,4-diamino-benzoic acid ethyl ester, Benzoic acid, 3,4-diamino-, ethyl ester, ETHYL3,4-DIAMINOBENZOATE, ACMC-1AFRR, AC1L9ZBE, Maybridge3_004764, AC1Q33YC, SCHEMBL940578, CTK3J4899, ZINC71497, DTXSID60332576, NUJBTXFFJUGENN-UHFFFAOYSA-N, CS-M1560, KS-000009ZZ, STR09661, SBB079269, 3,4-Diaminobenzoic acid, ethyl ester, AKOS005169874, 4-(Ethoxycarbonyl)benzene-1,2-diamine, CCG-249671, MCULE-3088246501, PS-4104, RTR-015200, TRA0057992, VZ32070, IDI1_016151, 4-(Ethoxycarbonyl)phenylene-1,2-diamine, AC-30075, AJ-10276, SC-50093, SY043331, ZB002620, AB0010165, DB-049117, TR-015200, E0930, FT-0639377, ST50825154, MFCD00179337 (97%), M-2611, 466E903, I01-15760, F0001-1076, C9H12N2O2, AIDS019259, CID458855, E34,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.207g/mol
Monoisotopic Mass	180.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

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