AG001IC4

143766-89-6 | β-Alanine, N-(2-carboxyethyl)-N-[(1,1-dimethylethoxy)carbonyl]-

AG001IC4

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CAS Number	143766-89-6
Catalog Number	AG001IC4(AGN-PC-0PUJXO)
Chemical Name	β-Alanine, N-(2-carboxyethyl)-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI	InChI=1S/C11H19NO6/c1-11(2,3)18-10(17)12(6-4-8(13)14)7-5-9(15)16/h4-7H2,1-3H3,(H,13,14)(H,15,16)
InChI Key	NIFJJASPEGEHDS-UHFFFAOYSA-N
MDL Number	MFCD11226793
Molecular Formula	C11H19NO6
Molecular Weight	261.2717
SMILES	O=C(N(CCC(O)=O)CCC(O)=O)OC(C)(C)C
Synonyms	N-Boc-iminodipropionic acid, 143766-89-6, ACMC-20ak5w, SCHEMBL2499626, 7531AH, MFCD11226793, ZINC34624438, AKOS015911797, AK186256, RT-014349, K-4605, N-Boc-iminodipropionic acid, >=97.0% (HPLC), J-007869, I14-37122, beta-Alanine, N-(2-carboxyethyl)-N-[(1,1-dimethylethoxy)carbonyl]-, 3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid, Boc-iminodipropionicacid, C11H19NO6, b-Alanine,N-(2-carboxyethyl)-N-[(1,1-dimethylethoxy)carbonyl]-,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	261.274g/mol
Monoisotopic Mass	261.121g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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