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tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate

tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate

CAS: 1779927-90-0

Formula: C12H25N3O2

SMILES: CC(N)CN1CCN(CC1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate

InChI: InChI=1/C12H25N3O2/c1-10(13)9-14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3

Composition: C (59.23%), H (10.36%), N (17.27%), O (13.15%)

Molar Mass: 243.351

Atom Count: 42

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 243.194677057
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YRSSUIZMGOJGOZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.11
Topological Polar Surface Area 58.8
Polarizability 27.06
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1779927-90-0 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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