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tert-butyl N-[2-hydroxy-1-(pyridin-3-yl)ethyl]carbamate

tert-butyl N-[2-hydroxy-1-(pyridin-3-yl)ethyl]carbamate

CAS: 898796-48-0

Formula: C12H18N2O3

SMILES: CC(C)(C)OC(=O)NC(CO)C1=CC=CN=C1

IUPAC: tert-butyl N-[2-hydroxy-1-(pyridin-3-yl)ethyl]carbamate

InChI: InChI=1/C12H18N2O3/c1-12(2,3)17-11(16)14-10(8-15)9-5-4-6-13-7-9/h4-7,10,15H,8H2,1-3H3,(H,14,16)

Composition: C (60.49%), H (7.61%), N (11.76%), O (20.14%)

Molar Mass: 238.287

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 238.131742448
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XRVFQTLGKBKUFF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.21
Topological Polar Surface Area 71.45
Polarizability 24.86
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 898796-48-0 $221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00
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