tert-butyl N-{1-[3-(hydroxymethyl)phenyl]azetidin-3-yl}carbamate

tert-butyl N-{1-[3-(hydroxymethyl)phenyl]azetidin-3-yl}carbamate

CAS: 889956-21-2

Formula: C15H22N2O3

SMILES: CC(C)(C)OC(=O)NC1CN(C1)C1=CC(CO)=CC=C1

IUPAC: tert-butyl N-{1-[3-(hydroxymethyl)phenyl]azetidin-3-yl}carbamate

InChI: InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-12-8-17(9-12)13-6-4-5-11(7-13)10-18/h4-7,12,18H,8-10H2,1-3H3,(H,16,19)

Composition: C (64.73%), H (7.97%), N (10.06%), O (17.24%)

Molar Mass: 278.352

Atom Count: 42

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.163042576
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PKANTJRDVSOXPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.83
Topological Polar Surface Area	61.8
Polarizability	29.84
Ring Count	2
Rotatable Bond Count	5

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