AG003IBL

817-11-8 | 3,3,3-Nitrilotripropionic Acid

AG003IBL

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CAS Number	817-11-8
Catalog Number	AG003IBL(AGN-PC-0UKJ9D)
Chemical Name	3,3,3-Nitrilotripropionic Acid
IUPAC Name	3-[bis(2-carboxyethyl)amino]propanoic acid
InChI	InChI=1S/C9H15NO6/c11-7(12)1-4-10(5-2-8(13)14)6-3-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChI Key	IWTIBPIVCKUAHK-UHFFFAOYSA-N
MDL Number	MFCD00055827
Molecular Formula	C9H15NO6
Molecular Weight	233.2185
NSC Number	145698
SMILES	O=C(O)CCN(CCC(O)=O)CCC(O)=O
UNII	YO42Z8V5HG
Synonyms	3,3',3''-Nitrilotripropionic Acid, 817-11-8, NITRILOTRIPROPIONIC ACID, 3,3',3''-nitrilotripropanoic acid, UNII-YO42Z8V5HG, YO42Z8V5HG, beta-Alanine, N,N-bis(2-carboxyethyl)-, 3-[bis(2-carboxyethyl)amino]propanoic acid, NSC145698, NSC 145698, AC1Q5WDB, ACMC-209pm3, SCHEMBL163128, AC1L408N, 3,3',3''-nitrilotripropanoic acid(non-preferred name), CTK8B2358, DTXSID70231248, IWTIBPIVCKUAHK-UHFFFAOYSA-N, Tris(3-oxo-3-hydroxypropyl)amine, ZINC1728397, ANW-37465, MFCD00055827, AKOS022588377, MCULE-3141120138, NSC-145698, TR-025653, FT-0613970, N0409, C9H15NO6, C9-H15-N-O6, CID98537, AR-1E8294, NTP, 86427-78-3,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	233.22g/mol
Monoisotopic Mass	233.09g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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