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(S) -1- (3-Methoxyphenyl) hexan-2-amine

CAT: 0127-OR82026-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR82026-01Size:100 mg
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CAS Number
2485004-71-3
MDL Number
MFCD34646149
Purity
98%
Smiles
CCCC[C@H](N)CC1=CC(OC)=CC=C1

Chemical Information

(S)-1-(3-Methoxyphenyl)hexan-2-amine
CAS Number2485004-71-3
PubChem CID124406474
IUPAC Name(2S)-1-(3-methoxyphenyl)hexan-2-amine
Molecular FormulaC13H21NO
Molecular Weight207.31
XLogP3.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity161
SMILES
CCCC[C@@H](CC1=CC(=CC=C1)OC)N
InChI
InChI=1S/C13H21NO/c1-3-4-7-12(14)9-11-6-5-8-13(10-11)15-2/h5-6,8,10,12H,3-4,7,9,14H2,1-2H3/t12-/m0/s1
InChIKey
GVKKWOOVTZRAOU-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(3-Methoxyphenyl)hexan-2-amine
CAS: 2485004-71-3
CID: 124406474
Formula: C13H21NO
MW: 207.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.31
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass207.162314293
Monoisotopic Mass207.162314293
Topological Polar Surface Area35.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
LBD52454-01(Hexan-2-yl) [2- (3-methoxyphenyl) ethyl]amine
PBD30724-01(Hexan-2-yl) [2- (2-methoxyphenyl) ethyl]amine
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GSD26406-01Spiro[2.3]hexan-4-amine hydrochloride
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JBD32494-01Spiro[2.3]hexan-5-amine hydrochloride
PID24568-013-[ (4-Methoxyphenyl) methyl]-3-azabicyclo[3.1.0]hexan-6-amine dihydrochloride
QDD30914-01N-Methylspiro[2.3]hexan-5-amine hydrochloride
DQD63027-011-Fluorospiro[2.3]hexan-5-amine hydrochlorides
MKD78065-015-Methoxyspiro[2.3]hexan-1-amine hydrochloride

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