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[ (1S) -1-cyclohexylethyl] (methyl) amine

CAT: 0926-NFA78557-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-NFA78557-01Size:50 mg
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CAS Number
138785-57-6
MDL Number
MFCD19217026
Smiles
C[C@@H] (C1CCCCC1) NC
Molecular Formula
C9H19N
Molecular Weight
141.25 g/mol
Controlled
No

Chemical Information

[(1S)-1-cyclohexylethyl](methyl)amine
CAS Number138785-57-6
PubChem CID15194969
IUPAC Name(1S)-1-cyclohexyl-N-methylethanamine
Molecular FormulaC9H19N
Molecular Weight141.25
XLogP2.6
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity84
SMILES
C[C@@H](C1CCCCC1)NC
InChI
InChI=1S/C9H19N/c1-8(10-2)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKey
HMJRHWDZXQWZRU-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of [(1S)-1-cyclohexylethyl](methyl)amine
CAS: 138785-57-6
CID: 15194969
Formula: C9H19N
MW: 141.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.25
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass141.151749610
Monoisotopic Mass141.151749610
Topological Polar Surface Area12 Ų
Heavy Atom Count10
Formal Charge0
Complexity84.7
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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