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(1-Methylcyclooctyl) methanamine

CAT: 0926-NKC67788-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-NKC67788-01Size:50 mg
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CAS Number
1513677-88-7
MDL Number
MFCD23945091
Smiles
CC1 (CCCCCCC1) CN
Molecular Formula
C10H21N
Molecular Weight
155.3 g/mol
Controlled
No

Chemical Information

(1-Methylcyclooctyl)methanamine
CAS Number1513677-88-7
PubChem CID80603984
IUPAC Name(1-methylcyclooctyl)methanamine
Molecular FormulaC10H21N
Molecular Weight155.28
XLogP3.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity101
SMILES
CC1(CCCCCCC1)CN
InChI
InChI=1S/C10H21N/c1-10(9-11)7-5-3-2-4-6-8-10/h2-9,11H2,1H3
InChIKey
MIBUYJFUZBQMCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Methylcyclooctyl)methanamine
CAS: 1513677-88-7
CID: 80603984
Formula: C10H21N
MW: 155.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.28
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass155.167399674
Monoisotopic Mass155.167399674
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes