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(1S,2R)-2-(aminomethyl)-N,N-bis[(1,1,2,2,2-²H?)ethyl]-1-phenylcyclopropane-1-carboxamide hydrochloride

(1S,2R)-2-(aminomethyl)-N,N-bis[(1,1,2,2,2-²H?)ethyl]-1-phenylcyclopropane-1-carboxamide hydrochloride

CAS: 1217774-40-7

Formula: C15H23ClN2O

SMILES: Cl.[2H]C([2H])([2H])C([2H])([2H])N(C(=O)[C@]1(C[C@H]1CN)C1=CC=CC=C1)C([2H])([2H])C([2H])([2H])[2H]

IUPAC: (1S,2R)-2-(aminomethyl)-N,N-bis[(1,1,2,2,2-²H?)ethyl]-1-phenylcyclopropane-1-carboxamide hydrochloride

InChI: InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1/i1D3,2D3,3D2,4D2;

Composition: C (61.52%), H (4.47%), [2H] (6.88%), Cl (12.10%), N (9.57%), O (5.46%)

Molar Mass: 292.87

Atom Count: 42

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 292.2126585
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XNCDYJFPRPDERF-XHWGGYTQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.81
Topological Polar Surface Area 46.33
Polarizability 28.92
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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Ships Within
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1217774-40-7 $3,046.74$3,046.74
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