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4-(Aminomethyl)-cyclohexanone Hydrochloride

CAT: 0572-TRC-A615630-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A615630-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1205750-10-2
Synonyms
4-Aminomethylcyclohexanone Hydrochloride
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Cl.NCC1CCC(=O)CC1
Molecular Formula
C7H13NO . HCl
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-(Aminomethyl)cyclohexanone hydrochloride
CAS Number1205750-10-2
PubChem CID124220005
IUPAC Name4-(aminomethyl)cyclohexan-1-one;hydrochloride
Molecular FormulaC7H14ClNO
Molecular Weight163.64
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity101
SMILES
C1CC(=O)CCC1CN.Cl
InChI
InChI=1S/C7H13NO.ClH/c8-5-6-1-3-7(9)4-2-6;/h6H,1-5,8H2;1H
InChIKey
PJPWFRAEBRUTLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Aminomethyl)cyclohexanone hydrochloride
CAS: 1205750-10-2
CID: 124220005
Formula: C7H14ClNO
MW: 163.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.64
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass163.0763918
Monoisotopic Mass163.0763918
Topological Polar Surface Area43.1 Ų
Heavy Atom Count10
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 Count2
Compound Is CanonicalizedYes

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