AG0004PE

1015242-07-5 | 2-Pyrrolidinopyrimidine-5-boronic acid pinacol ester

AG0004PE

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CAS Number	1015242-07-5
Catalog Number	AG0004PE(AGN-PC-00YV2B)
Chemical Name	2-Pyrrolidinopyrimidine-5-boronic acid pinacol ester
IUPAC Name	2-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
InChI	InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-9-16-12(17-10-11)18-7-5-6-8-18/h9-10H,5-8H2,1-4H3
InChI Key	CGSCNCRVBHIXSO-UHFFFAOYSA-N
MDL Number	MFCD07781249
Molecular Formula	C14H22BN3O2
Molecular Weight	275.1544
SMILES	CC1(C)OB(OC1(C)C)C1=CN=C(N=C1)N1CCCC1
Synonyms	1015242-07-5, 2-(Pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine, 2-(PYRROLIDIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER, 2-pyrrolidinopyrimidine-5-boronic acid pinacol ester, (2-(PYRROLIDIN-1-YL)PYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTER, 2-(Pyrrolidin-1-yl)pyrimidine-5-boronic acid pinacol ester, 95%, SCHEMBL2188747, C14H22BN3O2, CTK8B3144, DTXSID00585968, CGSCNCRVBHIXSO-UHFFFAOYSA-N, ZXBA000739, ANW-41840, MFCD07781249, AKOS015946626, ZINC169743668, AB42665, CS-W004007, FCH2816045, RTR-000389, AS-40330, BC000016, OR361593, AX8235993, ST2404065, TR-000389, FT-0697172, X1490, A-4112, J-000418, 2-Pyrrolidinopyrimidine-5-boronic acid, pinacol ester, 2-(PYRROLIDIN-1-YL)PYRIMIDIN-5-YLBORONIC ACID PINACOL ESTER, Pyrimidine, 2-(1-pyrrolidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ACN-034189, 2-(Pyrrolidin-1-yl)pyrimidine-5-boronic acid, pinacol ester, 2-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.181g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.159g/mol
Monoisotopic Mass	275.181g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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