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3-Methylhexan-2-amine hydrochloride

CAT: 0926-FJB47552-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FJB47552-02Size:50 mg
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CAS Number
855475-52-4
MDL Number
MFCD30486418
Smiles
Cl.CCCC (C) C (C) N
Molecular Formula
C7H18ClN
Molecular Weight
151.7 g/mol
Controlled
No

Chemical Information

3-Methylhexan-2-amine hydrochloride
CAS Number855475-52-4
PubChem CID119106307
IUPAC Name3-methylhexan-2-amine;hydrochloride
Molecular FormulaC7H18ClN
Molecular Weight151.68
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity52
SMILES
CCCC(C)C(C)N.Cl
InChI
InChI=1S/C7H17N.ClH/c1-4-5-6(2)7(3)8;/h6-7H,4-5,8H2,1-3H3;1H
InChIKey
DHSIWWZIJVZSRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylhexan-2-amine hydrochloride
CAS: 855475-52-4
CID: 119106307
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 Count3
Exact Mass151.1127773
Monoisotopic Mass151.1127773
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity52.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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