AG00EF5N

6405-28-3 | N-Benzyl-3,3'-iminodipropionic Acid

AG00EF5N

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CAS Number	6405-28-3
Catalog Number	AG00EF5N(AGN-PC-0TB545)
Chemical Name	N-Benzyl-3,3'-iminodipropionic Acid
IUPAC Name	3-[benzyl(2-carboxyethyl)amino]propanoic acid
InChI	InChI=1S/C13H17NO4/c15-12(16)6-8-14(9-7-13(17)18)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16)(H,17,18)
InChI Key	KSTIKMRBVZTNLX-UHFFFAOYSA-N
MDL Number	MFCD16327542
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
SMILES	OC(=O)CCN(CCC(=O)O)Cc1ccccc1
Synonyms	N-Benzyl-3,3'-iminodipropionic Acid, 6405-28-3, 3-[benzyl(2-carboxyethyl)amino]propanoic acid, 3,3'-(Benzylazanediyl)dipropanoic acid, ACMC-209njy, benzyliminodipropionic acid, SCHEMBL801660, CTK8B2084, DTXSID30719951, ADAL1037279, KS-000014AA, N-Benzyl-3,3'-iminodipropionicAcid, N-Benzyl-3,3-iminodipropionic Acid, 3,3'-(Benzylimino)bispropionic acid, ANW-34796, MFCD16327542, ZINC41308373, AKOS027252995, TC-123541, B3826, 3,3'-(Benzylazanediyl)dipropanoic acid (non-preferred name),

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.116g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	251.282g/mol
Monoisotopic Mass	251.116g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

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