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tert-butyl N-(octahydro-1H-isoindol-4-yl)carbamate hydrochloride

tert-butyl N-(octahydro-1H-isoindol-4-yl)carbamate hydrochloride

CAS: 2008714-57-4

Formula: C13H25ClN2O2

SMILES: Cl.CC(C)(C)OC(=O)NC1CCCC2CNCC12

IUPAC: tert-butyl N-(octahydro-1H-isoindol-4-yl)carbamate hydrochloride

InChI: InChI=1/C13H24N2O2.ClH/c1-13(2,3)17-12(16)15-11-6-4-5-9-7-14-8-10(9)11;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H

Composition: C (56.41%), H (9.10%), Cl (12.81%), N (10.12%), O (11.56%)

Molar Mass: 276.81

Atom Count: 43

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 276.1604558
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ZQBDQOJMJIPKCR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.68
Topological Polar Surface Area 50.36
Polarizability 26.65
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 2008714-57-4 $285.20-$3,248.75$285.20$3,248.75
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