AG002Z3W

29689-63-2 | Propanoic acid, 3-oxo-3-[(phenylmethyl)amino]-, ethyl ester

AG002Z3W

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	29689-63-2
Catalog Number	AG002Z3W(AGN-PC-007X5O)
Chemical Name	Propanoic acid, 3-oxo-3-[(phenylmethyl)amino]-, ethyl ester
IUPAC Name	ethyl 3-(benzylamino)-3-oxopropanoate
InChI	InChI=1S/C12H15NO3/c1-2-16-12(15)8-11(14)13-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChI Key	MPAGGJGTAABULX-UHFFFAOYSA-N
MDL Number	MFCD28128094
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	O=C(OCC)CC(NCC1=CC=CC=C1)=O
Synonyms	Ethyl 3-(benzylamino)-3-oxopropanoate, 29689-63-2, 3-(Benzylamino)-3-oxopropionic Acid Ethyl Ester, ethyl (N-benzylcarbamoyl)acetate, Ethyl N-Benzylmalonamate, N-Benzylmalonamic Acid Ethyl Ester, Ethyl 3-(Benzylamino)-3-oxopropionate, (N-Benzylcarbamoyl)acetic Acid Ethyl Ester, Ethyl 2-(benzylcarbamoyl)acetate, (N-Benzylcarbamoyl)acetate, SCHEMBL2087667, MPAGGJGTAABULX-UHFFFAOYSA-N, MFCD28128094, ZINC34519314, AKOS025395909, DS-8243, AK173294, CS-0035713, E1098, FT-0729336, Ethyl 3-oxo-3-[(phenylmethyl)amino]propanoate, 3-(Benzylamino)-3-oxopropanoic acid ethyl ester, Propanoic acid, 3-oxo-3-[(phenylmethyl)amino]-, ethyl ester, CID11379032,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number