tert-butyl 4-formylazepane-1-carboxylate

tert-butyl 4-formylazepane-1-carboxylate

CAS: 1065608-54-9

Formula: C12H21NO3

SMILES: CC(C)(C)OC(=O)N1CCCC(CC1)C=O

IUPAC: tert-butyl 4-formylazepane-1-carboxylate

InChI: InChI=1/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-5-10(9-14)6-8-13/h9-10H,4-8H2,1-3H3

Composition: C (63.41%), H (9.31%), N (6.16%), O (21.12%)

Molar Mass: 227.304

Atom Count: 37

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	227.15214354
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PJGLIJYHRJWIKF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.75
Topological Polar Surface Area	46.61
Polarizability	24.1
Ring Count	1
Rotatable Bond Count	3

Suppliers

Life Chemicals USA, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1065608-54-9		$237.60-$3,712.50$237.60$371.25$529.65$1,103.85$1,955.25$3,712.50

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1065608-54-9		$146.28-$1,297.57$146.28$274.90$414.87$1,297.57