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4-Methyl-2-hexanamine hydrochloride

CAT: 0926-FM46862-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FM46862-01Size:500 mg
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CAS Number
13803-74-2
Synonyms
1,3-Dimethylpentylamine hydrochloride
MDL Number
MFCD09038354
Smiles
CCC (C) CC (C) N.Cl
Molecular Formula
C7H18ClN
Molecular Weight
151.68 g/mol
Controlled
Yes

Chemical Information

4-Methylhexan-2-amine--hydrogen chloride (1/1)
CAS Number13803-74-2
PubChem CID44118858
IUPAC Name4-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
CCC(C)CC(C)N.Cl
InChI
InChI=1S/C7H17N.ClH/c1-4-6(2)5-7(3)8;/h6-7H,4-5,8H2,1-3H3;1H
InChIKey
ZKKBPHUAHARETG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylhexan-2-amine--hydrogen chloride (1/1)
CAS: 13803-74-2
CID: 44118858
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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