3-[1-(pyrrolidin-1-yl)ethyl]phenylboronic acid

3-[1-(pyrrolidin-1-yl)ethyl]phenylboronic acid

CAS: 1256355-44-8

Formula: C12H18BNO2

SMILES: CC(N1CCCC1)C1=CC(=CC=C1)B(O)O

IUPAC: {3-[1-(pyrrolidin-1-yl)ethyl]phenyl}boronic acid

InChI: InChI=1/C12H18BNO2/c1-10(14-7-2-3-8-14)11-5-4-6-12(9-11)13(15)16/h4-6,9-10,15-16H,2-3,7-8H2,1H3

Composition: C (65.79%), H (8.28%), B (4.93%), N (6.39%), O (14.60%)

Molar Mass: 219.09

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	219.143059
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OSQBDXBDCHOEAV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.11
Topological Polar Surface Area	43.7
Polarizability	25.38
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1256355-44-8		$88.55-$354.20$88.55$354.20