tert-butyl N-benzyl-N-(4-iodobutyl)carbamate

tert-butyl N-benzyl-N-(4-iodobutyl)carbamate

CAS: 400045-79-6

Formula: C16H24INO2

SMILES: CC(C)(C)OC(=O)N(CCCCI)CC1=CC=CC=C1

IUPAC: tert-butyl N-benzyl-N-(4-iodobutyl)carbamate

InChI: InChI=1S/C16H24INO2/c1-16(2,3)20-15(19)18(12-8-7-11-17)13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3

Composition: C (49.37%), H (6.21%), I (32.60%), N (3.60%), O (8.22%)

Molar Mass: 389.277

Atom Count: 44

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	389.08517
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XODUGXDTYDHWBN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.39
Topological Polar Surface Area	29.54
Polarizability	35.53
Ring Count	1
Rotatable Bond Count	8

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95%	<4 Days	400045-79-6		$28.75-$708.40$28.75$93.15$189.75$465.75$708.40