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1- (3-Methoxycyclohexyl) methanamines

CAT: 0926-QDC20653-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QDC20653-01Size:50 mg
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CAS Number
1340206-53-2
MDL Number
MFCD19649844
Smiles
COC1CCCC (C1) CN
Molecular Formula
C8H17NO
Molecular Weight
143.2 g/mol
Controlled
No

Chemical Information

1-(3-Methoxycyclohexyl)methanamine
CAS Number1340206-53-2
PubChem CID64092286
IUPAC Name(3-methoxycyclohexyl)methanamine
Molecular FormulaC8H17NO
Molecular Weight143.23
XLogP0.7
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity95
SMILES
COC1CCCC(C1)CN
InChI
InChI=1S/C8H17NO/c1-10-8-4-2-3-7(5-8)6-9/h7-8H,2-6,9H2,1H3
InChIKey
WDZRIXASMZZTBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Methoxycyclohexyl)methanamine
CAS: 1340206-53-2
CID: 64092286
Formula: C8H17NO
MW: 143.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.23
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass143.131014166
Monoisotopic Mass143.131014166
Topological Polar Surface Area35.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity95.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes