AG00CISK

35418-07-6 | Methyl 3-(4-aMinophenyl)propionate

AG00CISK

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CAS Number	35418-07-6
Catalog Number	AG00CISK(AGN-PC-0JQYBD)
Chemical Name	Methyl 3-(4-aMinophenyl)propionate
IUPAC Name	methyl 3-(4-aminophenyl)propanoate
InChI	InChI=1S/C10H13NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7,11H2,1H3
InChI Key	LXHNQRGWWMORLQ-UHFFFAOYSA-N
MDL Number	MFCD00546554
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(OC)CCC1=CC=C(N)C=C1
Synonyms	methyl 3-(4-aminophenyl)propanoate, 35418-07-6, methyl 3-(4-aminophenyl)propionate, methyl 3-[4-aminophenyl]propionate, AC1L9DGA, Benzenepropanoic acid, 4-amino-, methyl ester, NCIOpen2_006207, Oprea1_504928, SCHEMBL223653, AC1Q442E, CHEMBL2252083, KS-00000OOL, DTXSID60329103, LXHNQRGWWMORLQ-UHFFFAOYSA-N, ZINC1575717, 4413AB, BBL028749, MFCD00546554, STL253577, 4-Aminohydrocinnamic acid methyl ester, AKOS009290405, MCULE-9913688915, NE11578, AJ-27281, AK-64364, BS-13850, CS-0091630, FT-0696135, EN300-69034, 3-(4-amino-phenyl)propionic acid methyl ester, 3-(4-amino-phenyl)-propanoic acid methyl ester, 3-(4-amino-phenyl)-propionic acid methyl ester, Z1263714160, C10H13NO2, NSC90252, CID417374,

Complexity	162
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	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

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