methyl 1-aminocycloheptane-1-carboxylate hydrochloride

methyl 1-aminocycloheptane-1-carboxylate hydrochloride

CAS: 92398-50-0

Formula: C9H18ClNO2

SMILES: Cl.COC(=O)C1(N)CCCCCC1

IUPAC: methyl 1-aminocycloheptane-1-carboxylate hydrochloride

InChI: InChI=1S/C9H17NO2.ClH/c1-12-8(11)9(10)6-4-2-3-5-7-9;/h2-7,10H2,1H3;1H

Composition: C (52.05%), H (8.74%), Cl (17.07%), N (6.74%), O (15.41%)

Molar Mass: 207.7

Atom Count: 31

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	207.1026065
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DUVCCEMTDGDVRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.43
Topological Polar Surface Area	52.32
Polarizability	18.87
Ring Count	1
Rotatable Bond Count	2

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