4-[1-(dimethylamino)ethyl]phenylboronic acid hydrochloride

4-[1-(dimethylamino)ethyl]phenylboronic acid hydrochloride

CAS: 1704069-14-6

Formula: C10H17BClNO2

SMILES: Cl.CC(N(C)C)C1=CC=C(C=C1)B(O)O

IUPAC: {4-[1-(dimethylamino)ethyl]phenyl}boronic acid hydrochloride

InChI: InChI=1/C10H16BNO2.ClH/c1-8(12(2)3)9-4-6-10(7-5-9)11(13)14;/h4-8,13-14H,1-3H3;1H

Composition: C (52.33%), H (7.47%), B (4.71%), Cl (15.45%), N (6.10%), O (13.94%)

Molar Mass: 229.51

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	229.104086
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MMFBKOPWOXTXFV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.56
Topological Polar Surface Area	43.7
Polarizability	22.43
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1704069-14-6		$58.65-$500.25$58.65$186.30$500.25