Text Search
Structure Search

3-(4-benzylphenoxy)pyrrolidine hydrochloride

3-(4-benzylphenoxy)pyrrolidine hydrochloride

CAS: 1185297-42-0

Formula: C17H20ClNO

SMILES: Cl.C(C1=CC=CC=C1)C1=CC=C(OC2CCNC2)C=C1

IUPAC: 3-(4-benzylphenoxy)pyrrolidine hydrochloride

InChI: InChI=1/C17H19NO.ClH/c1-2-4-14(5-3-1)12-15-6-8-16(9-7-15)19-17-10-11-18-13-17;/h1-9,17-18H,10-13H2;1H

Composition: C (70.46%), H (6.96%), Cl (12.23%), N (4.83%), O (5.52%)

Molar Mass: 289.8

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 289.123342
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CDIAAVDMJKAOHM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.55
Topological Polar Surface Area 21.26
Polarizability 30.58
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1185297-42-0 $219.25$219.25
Request Quote