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5-Methylhexan-1-amine hydrochloride

CAT: 0926-IDC62805-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-IDC62805-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1333628-05-9
MDL Number
MFCD19982466
Smiles
CC (C) CCCCN.Cl
Molecular Formula
C7H18ClN
Molecular Weight
151.68 g/mol
Controlled
No

Chemical Information

5-Methylhexan-1-amine hydrochloride
CAS Number1333628-05-9
PubChem CID53534931
IUPAC Name5-methylhexan-1-amine;hydrochloride
Molecular FormulaC7H18ClN
Molecular Weight151.68
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity41
SMILES
CC(C)CCCCN.Cl
InChI
InChI=1S/C7H17N.ClH/c1-7(2)5-3-4-6-8;/h7H,3-6,8H2,1-2H3;1H
InChIKey
RPIWTHYWYHOWBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methylhexan-1-amine hydrochloride
CAS: 1333628-05-9
CID: 53534931
Formula: C7H18ClN
MW: 151.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass151.1127773
Monoisotopic Mass151.1127773
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity41.7
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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