AG003I6V

52815-19-7 | BOC-DL-3-AMINOBUTYRIC ACID

AG003I6V

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CAS Number	52815-19-7
Catalog Number	AG003I6V(AGN-PC-0WAIY1)
Chemical Name	BOC-DL-3-AMINOBUTYRIC ACID
IUPAC Name	3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)
InChI Key	PYNDHEONPQYIAN-UHFFFAOYSA-N
MDL Number	MFCD00270338
Molecular Formula	C9H17NO4
Molecular Weight	203.2356
SMILES	CC(CC(O)=O)NC(=O)OC(C)(C)C
Synonyms	3-((tert-Butoxycarbonyl)amino)butanoic acid, 52815-19-7, 3-(Boc-amino)butanoic acid, Boc-DL-3-aminobutyric acid, Boc-|A-HoAla-OH, PYNDHEONPQYIAN-UHFFFAOYSA-N, 3-{[(tert-butoxy)carbonyl]amino}butanoic acid, 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, 3-[(tert-butoxycarbonyl)amino]butanoic acid, (S)-N-Boc-3-aminobutyric acid, (S)-3-(tert-Butoxycarbonylamino)butyric acid, 3-tert-Butoxycarbonylamino-butyric acid, Boc-D-beta-HoAla-OH, ACMC-209dkh, AC1MUI5H, ACMC-209yj5, SCHEMBL74360, TMBA001, CTK8B6976, KS-00000FSY, DTXSID80394833, 3-t-butoxycarbonylaminobutyric acid, ANW-55450, MFCD00270338, 3-tert-butoxycarbonylaminobutanoic acid, AKOS009398438, AM84530, MCULE-9866993621, TRA0091104, VA50570, 3-(tert-Butoxycarbonylamino)butanoic acid, AK-60120, AK-65182, AK-76659, AS-19321, SY025950, AB0019023, TC-144195, 4CH-009622, 4CH-018422, 4CH-021326, BB 0260915, FT-0735117, ST24041341, X6919, EN300-49661, B34000, Z-3676, MFCD00270338 (97+%), Z1262246097, 43080-09-7, Boc-D-3-Abu-OH, Boc-beta-HoAla-OH, Boc-L-beta-homoalanine, (R)-N-Boc-3-aminobutyric acid, C9H17NO4, BOC-DL-3-AMINOBUTYRICACID, CID3666467, 158851-30-0, 159991-23-8, (R)-3-tert-Butoxycarbonylamino-butyric acid, (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid, (S)-3-((tert-Butoxycarbonyl)amino)butanoic acid,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.238g/mol
Monoisotopic Mass	203.116g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

Lot Number