4-{2-[(tert-butoxycarbonyl)(methyl)amino]ethyl}phenylboronic acid

4-{2-[(tert-butoxycarbonyl)(methyl)amino]ethyl}phenylboronic acid

CAS: 1191062-03-9

Formula: C14H22BNO4

SMILES: CN(CCC1=CC=C(C=C1)B(O)O)C(=O)OC(C)(C)C

IUPAC: [4-(2-{[(tert-butoxy)carbonyl](methyl)amino}ethyl)phenyl]boronic acid

InChI: InChI=1S/C14H22BNO4/c1-14(2,3)20-13(17)16(4)10-9-11-5-7-12(8-6-11)15(18)19/h5-8,18-19H,9-10H2,1-4H3

Composition: C (60.24%), H (7.94%), B (3.87%), N (5.02%), O (22.93%)

Molar Mass: 279.14

Atom Count: 42

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	279.164188
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SHIGSPOXCDMZRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.6
Topological Polar Surface Area	70
Polarizability	30.17
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1191062-03-9		$68.09-$114.75$68.09$114.75