methyl 3-aminocycloheptane-1-carboxylate

methyl 3-aminocycloheptane-1-carboxylate

CAS: 1781931-45-0

Formula: C9H17NO2

SMILES: COC(=O)C1CCCCC(N)C1

IUPAC: methyl 3-aminocycloheptane-1-carboxylate

InChI: InChI=1/C9H17NO2/c1-12-9(11)7-4-2-3-5-8(10)6-7/h7-8H,2-6,10H2,1H3

Composition: C (63.13%), H (10.01%), N (8.18%), O (18.69%)

Molar Mass: 171.24

Atom Count: 29

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	171.125928791
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UWMPYVMDOPGUHO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.54
Topological Polar Surface Area	52.32
Polarizability	18.87
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1781931-45-0		$327.75-$6,762.00$327.75$540.50$966.00$1,817.00$6,762.00