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tert-butyl N-{2-[4-(hydroxymethyl)phenyl]ethyl}carbamate

tert-butyl N-{2-[4-(hydroxymethyl)phenyl]ethyl}carbamate

CAS: 421551-76-0

Formula: C14H21NO3

SMILES: CC(C)(C)OC(=O)NCCC1=CC=C(CO)C=C1

IUPAC: tert-butyl N-{2-[4-(hydroxymethyl)phenyl]ethyl}carbamate

InChI: InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-9-8-11-4-6-12(10-16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)

Composition: C (66.91%), H (8.42%), N (5.57%), O (19.10%)

Molar Mass: 251.326

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.15214354
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey UDROTENLDOIPLQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.98
Topological Polar Surface Area 58.56
Polarizability 27.57
Ring Count 1
Rotatable Bond Count 6

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