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[1-benzyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol

[1-benzyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol

CAS: 92197-46-1

Formula: C13H19NO2

SMILES: OCC1CCC(CO)N1CC1=CC=CC=C1

IUPAC: [1-benzyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol

InChI: InChI=1/C13H19NO2/c15-9-12-6-7-13(10-16)14(12)8-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2

Composition: C (70.56%), H (8.65%), N (6.33%), O (14.46%)

Molar Mass: 221.3

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 221.141578856
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KDHJNPHFSBLEMM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.07
Topological Polar Surface Area 43.7
Polarizability 25.25
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 92197-46-1 $227.70-$3,185.50$227.70$342.70$457.70$572.70$802.70$3,185.50
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