N-[2-(morpholin-4-yl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-[2-(morpholin-4-yl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

CAS: 787591-39-3

Formula: C19H29BN2O4

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C(=O)NCCN1CCOCC1

IUPAC: N-[2-(morpholin-4-yl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

InChI: InChI=1S/C19H29BN2O4/c1-18(2)19(3,4)26-20(25-18)16-7-5-15(6-8-16)17(23)21-9-10-22-11-13-24-14-12-22/h5-8H,9-14H2,1-4H3,(H,21,23)

Composition: C (63.35%), H (8.11%), B (3.00%), N (7.78%), O (17.76%)

Molar Mass: 360.26

Atom Count: 55

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	360.222037
Formal Charge	0
FSP3	0.63
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VPNFEKQPSDUJOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.78
Topological Polar Surface Area	60.03
Polarizability	39.37
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	787591-39-3		Quote Only

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	787591-39-3		$51.35-$305.90$51.35$63.37$65.55$86.31$87.40$305.90