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(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-ylmethyl N-(2-aminoethyl)carbamate

(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-ylmethyl N-(2-aminoethyl)carbamate

CAS: 2008714-39-2

Formula: C13H20N2O2

SMILES: [H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCN

IUPAC: [(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-(2-aminoethyl)carbamate

InChI: InChI=1S/C13H20N2O2/c14-7-8-15-13(16)17-9-12-10-5-3-1-2-4-6-11(10)12/h10-12H,3-9,14H2,(H,15,16)/t10-,11+,12-

Composition: C (66.07%), H (8.53%), N (11.85%), O (13.54%)

Molar Mass: 236.315

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 236.152477892
Formal Charge 0
FSP3 0.77
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FFWPXKBFGGQLFE-ZSBIGDGJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.94
Topological Polar Surface Area 64.35
Polarizability 25.55
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2008714-39-2 $359.10-$1,951.43$359.10$652.05$1,115.10$1,951.43
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