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4,4-Dimethylpentan-1-amine

CAT: 0127-OR1072187-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1072187-01Size:100 mg
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CAS Number
18925-44-5
MDL Number
MFCD08449513
Purity
95%
Smiles
CC(C)(C)CCCN

Chemical Information

4,4-Dimethylpentan-1-amine
CAS Number18925-44-5
PubChem CID14454757
IUPAC Name4,4-dimethylpentan-1-amine
Molecular FormulaC7H17N
Molecular Weight115.22
XLogP1.7
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity51
SMILES
CC(C)(C)CCCN
InChI
InChI=1S/C7H17N/c1-7(2,3)5-4-6-8/h4-6,8H2,1-3H3
InChIKey
MJOCCSXOVAVKFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4-Dimethylpentan-1-amine
CAS: 18925-44-5
CID: 14454757
Formula: C7H17N
MW: 115.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.22
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass115.136099547
Monoisotopic Mass115.136099547
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity51.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AN KA 1219-014,4-dimethylpentan-1-amine
RAC69457-014,4-Dimethylpentan-1-amine hydrochloride
SAC41939-015-Methoxy-4,4-dimethylpentan-1-amine
NLC15767-011-Methoxy-4,4-dimethylpentan-2-amine
YZB95218-011-Methoxy-4,4-dimethylpentan-3-amine
YZB98857-011,1,1-Trifluoro-4,4-dimethylpentan-3-amine
EEC95013-011-Cyclopentyl-4,4-dimethylpentan-3-amine hydrochloride
HHC68179-011,1,1-Trifluoro-4,4-dimethylpentan-2-amine hydrochloride
sc-355779N,4-dimethylpentan-2-amine hydrochloride
DXC60581-011- (1H-Imidazol-2-yl) -4,4-dimethylpentan-1-amine dihydrochloride

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