AG00BD8T

21911-84-2 | 3-Phenylamino-propionic acid methyl ester

AG00BD8T

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CAS Number	21911-84-2
Catalog Number	AG00BD8T(AGN-PC-0QYEAV)
Chemical Name	3-Phenylamino-propionic acid methyl ester
EC Number	244-656-8
IUPAC Name	methyl 3-anilinopropanoate
InChI	InChI=1S/C10H13NO2/c1-13-10(12)7-8-11-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChI Key	TWAMXXLZDQNMCF-UHFFFAOYSA-N
MDL Number	MFCD00089334
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
NSC Number	144467
SMILES	N(CCC(=O)OC)c1ccccc1
Synonyms	21911-84-2, METHYL 3-(PHENYLAMINO)PROPANOATE, 3-PHENYLAMINO-PROPIONIC ACID METHYL ESTER, methyl 3-anilinopropanoate, Methyl N-phenyl-beta-alaninate, F2189-0200, methyl n-phenyl-|A-alaninate, NSC144467, SCHEMBL505867, AC1L3H51, AC1Q600Z, CTK4E7953, KS-00000NPC, Methyl 3-(phenylamino)propionate, DTXSID10176326, N-(2-methoxycarbonylethyl)aniline, TWAMXXLZDQNMCF-UHFFFAOYSA-N, methyl 3-(n-phenylamino)propionate, N-Phenyl-beta-alanine methyl ester, ALBB-007444, ZINC1727946, 3-Anilinopropionic acid methyl ester, EINECS 244-656-8, ANW-49947, BBL009803, methyl 3-(N-phenylamino)-propionate, MFCD00089334, N-[2-(methoxycarbonyl)ethyl]aniline, STK293192, AKOS000265052, MCULE-1124196390, NSC-144467, RP24062, NCGC00329915-01, AJ-31131, AK-48038, BR-48038, CJ-06911, CJ-29360, CS-10003, SC-48391, TS-00192, AB0023458, DB-008849, ST2419540, TR-010276, 4CH-015641, AM20050361, BB 0241895, FT-0081303, FT-0651093, W4523, S-3508, AB00632434-04, I01-9674, J-513051, C10H13NO2, CID89103, AR-1J6073, 3-PHENYLAMINO-PROPIONICACIDMETHYLESTER, 22430-63-3,

Complexity	153
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	5
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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