AG00AP4Y

1949-51-5 | Ethyl 3,5-diaminobenzoate

AG00AP4Y

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CAS Number	1949-51-5
Catalog Number	AG00AP4Y(AGN-PC-0JLBU1)
Chemical Name	Ethyl 3,5-diaminobenzoate
EC Number	217-762-7
IUPAC Name	ethyl 3,5-diaminobenzoate
InChI	InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,10-11H2,1H3
InChI Key	IDLVQOMJOKNXSL-UHFFFAOYSA-N
MDL Number	MFCD00017104
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	O=C(OCC)C1=CC(N)=CC(N)=C1
Synonyms	Ethyl 3,5-diaminobenzoate, 1949-51-5, 3,5-DIAMINO-BENZOIC ACID ETHYL ESTER, 3,5-diaminobenzoic acid ethyl ester, EINECS 217-762-7, Naretin, AC1L2MM7, AC1Q64GD, SCHEMBL1278720, CTK4E1664, DTXSID80173140, ZINC1995092, 6692AH, AB1429, MFCD00017104, AKOS003248358, Benzoic acid,3,5-diamino-, ethyl ester, AJ-32257, AS-44576, CJ-30768, DB-065864, FT-0716466, TL80090808, 3,5-DIAMINO BENZOIC ACID ETHYL ESTER, C9H12N2O2, CID74765, AR-1I8709, C9-H12-N2-O2, Benzoic acid, 3,5-diamino-, ethyl ester, 19946-20-4,

Complexity	175
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	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number