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tert-butyl N-{[(1r,4r)-4-(aminomethyl)cyclohexyl]methyl}carbamate

tert-butyl N-{[(1r,4r)-4-(aminomethyl)cyclohexyl]methyl}carbamate

CAS: 166168-16-7

Formula: C13H26N2O2

SMILES: CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN)CC1

IUPAC: tert-butyl N-{[(1r,4r)-4-(aminomethyl)cyclohexyl]methyl}carbamate

InChI: InChI=1/C13H26N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10-,11-

Composition: C (64.43%), H (10.81%), N (11.56%), O (13.20%)

Molar Mass: 242.363

Atom Count: 43

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 242.199428085
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NYXOBVVHJZENCO-XYPYZODXNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.59
Topological Polar Surface Area 64.35
Polarizability 27.37
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 166168-16-7 $53.82-$406.76$53.82$104.54$406.76
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Purity LeadTime CAS PacketSize UnitPrice
99% <6 Days 166168-16-7 $79.35-$1,914.75$79.35$129.95$447.35$830.30$1,914.75
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