AG00HXQF

149682-75-7 | 1-Pyrrolidinecarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) ester

AG00HXQF

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CAS Number	149682-75-7
Catalog Number	AG00HXQF(AGN-PC-015F3L)
Chemical Name	1-Pyrrolidinecarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) ester
EC Number	604-696-2
IUPAC Name	[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid
InChI	InChI=1S/C9H18BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h7,13-14H,4-6H2,1-3H3
InChI Key	UIIUYLRUCQCTST-UHFFFAOYSA-N
MDL Number	MFCD02183523
Molecular Formula	C9H18BNO4
Molecular Weight	215.0545
SMILES	C1CCN(C1B(O)O)C(=O)OC(C)(C)C
Synonyms	1-N-Boc-pyrrolidin-2-ylboronic acid, 149682-75-7, (1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-2-YL)BORONIC ACID, 1-(tert-butoxycarbonyl)pyrrolidin-2-yl-2-boronic acid, 1-Boc-Pyrrolidine-2-boronic acid, 2-BORONO-1-PYRROLIDINECARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) ESTER, 1-(tert-butoxycarbonyl)pyrrolidin-2-ylboronic acid, {1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}boronic acid, AK-33382, 1-PYRROLIDINECARBOXYLIC ACID, 2-BORONO-, 1-(1,1-DIMETHYLETHYL) ESTER, J-503658, (+/-)-1-(T-BUTOXYCARBONYL)-PYRROLIDINE-2-BORONIC ACID, 2-Borono-1-pyrrolidinecarboxylicacid1-(1,1-dimethylethyl)ester, 1-N-Boc-pyrrolidin-2-ylboronicacid, ACMC-20airj, PubChem11555, AC1MC6ZN, SCHEMBL4606763, KS-00000MUX, DTXSID70376284, UIIUYLRUCQCTST-UHFFFAOYSA-N, BCP21345, CS-D0287, 1-N-Boc-pyrrolidine-2-boronic acid, [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic Acid, ANW-75245, MFCD02183523, AKOS015919004, AB11497, AC-4705, AM84455, CB-3022, EBD2333234, FCH1620396, LS20229, QC-8181, RP04949, AN-11724, BC220394, BR-33382, DS-12270, OR360152, SY039722, AB0009851, AX8071332, ST2415442, TC-163990, 4CH-001331, FT-0603950, MFCD02183523 (97%), B-7304, (1-tert-butoxycarbonylpyrrolidin-2-yl)boronic acid, 1-(tert-butoxycarbonyl)pyrrolidin-2-ylboronicacid, 682B757, S11-0048, N-Boc-2-pyrroleboronic acid, N-Boc-Pyrrolidin-2-(R)-ylboronic acid, N-Boc-Pyrrolidin-2-(S)-ylboronic acid, ACN-043551, CB11877, CID2762525, A3288, 149716-78-9, 149716-79-0,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.133g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.056g/mol
Monoisotopic Mass	215.133g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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