1-amino-4-phenylcyclohexane-1-carboxylic acid

1-amino-4-phenylcyclohexane-1-carboxylic acid

CAS: 117259-23-1

Formula: C13H17NO2

SMILES: NC1(CCC(CC1)C1=CC=CC=C1)C(O)=O

IUPAC: 1-amino-4-phenylcyclohexane-1-carboxylic acid

InChI: InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)

Composition: C (71.21%), H (7.81%), N (6.39%), O (14.59%)

Molar Mass: 219.284

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.125928791
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	TWAYLYPZRSXEOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.7
Topological Polar Surface Area	63.32
Polarizability	24.45
Ring Count	2
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	117259-23-1		$198.84-$528.77$198.84$198.84$235.98$235.98$528.77$528.77

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AA BLOCKS INC

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