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6-Amino-2-hydroxymethyl Hexan-1-ol

CAT: 0572-TRC-A611235-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A611235-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125162-81-4
Hazard Statement
May be harmful if swallowed.
Smiles
NCCCCC(CO)CO
Molecular Formula
C7 H17 N O2
Molecular Weight
147.22
InChI
InChI=1S/C7H17NO2/c8-4-2-1-3-7(5-9)6-10/h7,9-10H,1-6,8H2
Additionnal Information
IUPAC name: 2-(4-aminobutyl)propane-1,3-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(4-Aminobutyl)-1,3-propanediol

used for forming foldback triplex-forming oligonucleotides

CAS Number125162-81-4
PubChem CID130383
IUPAC Name2-(4-aminobutyl)propane-1,3-diol
Molecular FormulaC7H17NO2
Molecular Weight147.22
XLogP-0.8
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity64
SMILES
C(CCN)CC(CO)CO
InChI
InChI=1S/C7H17NO2/c8-4-2-1-3-7(5-9)6-10/h7,9-10H,1-6,8H2
InChIKey
KUZCSLNRDJKKMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Aminobutyl)-1,3-propanediol
CAS: 125162-81-4
CID: 130383
Formula: C7H17NO2
MW: 147.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.22
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass147.125928785
Monoisotopic Mass147.125928785
Topological Polar Surface Area66.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity64.6
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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