AG0036F3

832114-10-0 | 4-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester

AG0036F3

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CAS Number	832114-10-0
Catalog Number	AG0036F3(AGN-PC-0WA94U)
Chemical Name	4-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester
IUPAC Name	N-[3-(dimethylamino)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI	InChI=1S/C18H29BN2O3/c1-17(2)18(3,4)24-19(23-17)15-10-8-14(9-11-15)16(22)20-12-7-13-21(5)6/h8-11H,7,12-13H2,1-6H3,(H,20,22)
InChI Key	KDABIGMFEYWURZ-UHFFFAOYSA-N
MDL Number	MFCD05864306
Molecular Formula	C18H29BN2O3
Molecular Weight	332.2455
SMILES	CN(CCCNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Synonyms	832114-10-0, N-(3-dimethylaminopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-(3-(Dimethylamino)propyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 4-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester, 4-[[3-(Dimethylamino)propyl]carbamoyl]phenylboronic Acid Pinacol Ester, N-[3-(dimethylamino)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 4-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid pinacol ester, n-[3-(n',n'-dimethylamino)propyl]benzamide-4-boronic acid, pinacol ester, AC1MBYCF, AMTB352, SCHEMBL473799, CTK5F0481, KS-00000AUQ, DTXSID70374366, KDABIGMFEYWURZ-UHFFFAOYSA-N, ZXBA000189, ZX-RL003348, ANW-42444, MFCD05864306, AKOS015960080, ZINC169794587, AB22754, BS-2130, RTR-025929, BC000556, OR310098, SY025277, AX8250406, TR-025929, MFCD05864306 (95%), B-4303, 4-(3-(DIMETHYLAMINO)PROPYLCARBAMOYL)PHENYLBORONIC ACID, PINA, 4-[[3-(Dimethylamino)propyl]carbamoyl]phenylboronicAcidPinacolEster, N-(3-dimethylamino-propyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide, N-[3-(Dimethylamino)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)benzamide, N-[3-(dimethylamino)propyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-(3-dimethylaminopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, AldrichCPR, N- -4- BENZAMIDE, C18H29BN2O3, CID2758518,

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	332.227g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	332.251g/mol
Monoisotopic Mass	332.227g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	50.8A^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	P280-P305+P351+P338
UN Code

Certificate of Analysis

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