AG0068BZ

98454-39-8 | Cyclohexanamine, 4-(phenylmethoxy)-, trans-

AG0068BZ

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CAS Number	98454-39-8
Catalog Number	AG0068BZ(AGN-PC-0OOWGN)
Chemical Name	Cyclohexanamine, 4-(phenylmethoxy)-, trans-
IUPAC Name	4-phenylmethoxycyclohexan-1-amine
InChI	InChI=1S/C13H19NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2
InChI Key	QEJZOTXVZFPSPN-UHFFFAOYSA-N
MDL Number	MFCD14584855
Molecular Formula	C13H19NO
Molecular Weight	205.2961
SMILES	N[C@H]1CC[C@H](OCC2=CC=CC=C2)CC1
Synonyms	Trans-4-(benzyloxy)cyclohexanamine, 4-(benzyloxy)cyclohexanamine, 98454-39-8, cis-4-(Benzyloxy)cyclohexanamine, 160357-83-5, Cyclohexanamine, 4-(phenylmethoxy)-, trans-, 98454-38-7, 4-(Benzyloxy)cyclohexan-1-amine, ACMC-20m2d7, SCHEMBL1241681, SCHEMBL1241683, CTK3G7835, DTXSID50540789, MFCD14582896, MFCD14584854, MFCD14584855, ZINC39647738, AKOS012103695, ZINC108233973, ZINC238689753, AS-44218, AS-44883,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.147g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.301g/mol
Monoisotopic Mass	205.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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