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ethyl(3-methylhexan-2-yl)amine hydrochloride

CAT: 0572-TRC-B438375-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B438375-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1305712-15-5
Hazard Statement
Harmful if swallowed.
Smiles
Cl.CCCC(C)C(C)NCC
Molecular Formula
C9H21N.HCl
Molecular Weight
179.73
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethyl(3-methylhexan-2-yl)amine hydrochloride
CAS Number1305712-15-5
PubChem CID50988214
IUPAC NameN-ethyl-3-methylhexan-2-amine;hydrochloride
Molecular FormulaC9H22ClN
Molecular Weight179.73
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity71
SMILES
CCCC(C)C(C)NCC.Cl
InChI
InChI=1S/C9H21N.ClH/c1-5-7-8(3)9(4)10-6-2;/h8-10H,5-7H2,1-4H3;1H
InChIKey
KXNTXPNZNSVDKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl(3-methylhexan-2-yl)amine hydrochloride
CAS: 1305712-15-5
CID: 50988214
Formula: C9H22ClN
MW: 179.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass179.1440774
Monoisotopic Mass179.1440774
Topological Polar Surface Area12 Ų
Heavy Atom Count11
Formal Charge0
Complexity71.1
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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