N-cyclohexylcyclohexanamine(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

CAS: 4192-12-5

Molecular Formula	`C26H42N2O4`
Molecular Weight	446.6 g/mol
Topological Polar Surface Area	87.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	446.31445
Heavy Atoms	32
Complexity	432.0

Chemical Identifiers

CAS Number	4192-12-5
SMILES	`CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2`
InChIKey	`JMICVVJOIDXBJR-MERQFXBCSA-N`

📖 Product Overview

N-cyclohexylcyclohexanamine(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid (CAS: 4192-12-5) is a chemical compound with molecular formula C26H42N2O4 and molecular weight 446.6 g/mol. Its IUPAC systematic name is N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid. Topological Polar Surface Area 87.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 446.31445 Heavy Atoms 32 Complexity 432.0 InChI Key: JMICVVJOIDXBJR-MERQFXBCSA-N. SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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