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tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate hydrochloride

tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate hydrochloride

CAS: 1187929-26-5

Formula: C14H23ClN2O3

SMILES: Cl.COC1=CC=CC(=C1)C(N)CNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate hydrochloride

InChI: InChI=1/C14H22N2O3.ClH/c1-14(2,3)19-13(17)16-9-12(15)10-6-5-7-11(8-10)18-4;/h5-8,12H,9,15H2,1-4H3,(H,16,17);1H

Composition: C (55.53%), H (7.66%), Cl (11.71%), N (9.25%), O (15.85%)

Molar Mass: 302.8

Atom Count: 43

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 302.1397203
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QSHPQWQTTWDLTM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.49
Topological Polar Surface Area 73.58
Polarizability 29.16
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1187929-26-5 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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