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tert-butyl N-[(3S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate

CAS: 663948-84-3

Formula: C17H26N2O3

SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@@H](CO)N(CC2=CC=CC=C2)C1

IUPAC: tert-butyl N-[(3S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate

InChI: InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)18-14-9-15(12-20)19(11-14)10-13-7-5-4-6-8-13/h4-8,14-15,20H,9-12H2,1-3H3,(H,18,21)/t14-,15-/m0/s1

Composition: C (66.64%), H (8.55%), N (9.14%), O (15.66%)

Molar Mass: 306.406

Atom Count: 48

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 306.194342705
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FMNZEJOEYLXGMP-GJZGRUSLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.95
Topological Polar Surface Area 61.8
Polarizability 33.9
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 663948-84-3 $221.95-$5,612.00$221.95$327.75$540.50$966.00$1,587.00$5,612.00
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