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N,N-Diamylnitrosamine

CAT: 0572-TRC-D416864-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D416864-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13256-06-9
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CCCCCN(CCCCC)N=O
Molecular Formula
C10 H22 N2 O
Molecular Weight
186.29
InChI
InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3
Additionnal Information
IUPAC name: N,N-dipentylnitrous amide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Nitroso-N-pentyl-1-pentanamine

N-nitrosodiamylamine is a clear light yellow liquid. (NTP, 1992)

CAS Number13256-06-9
PubChem CID252237
IUPAC NameN,N-dipentylnitrous amide
Molecular FormulaC10H22N2O
Molecular Weight186.29
XLogP3.7
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity107
SMILES
CCCCCN(CCCCC)N=O
InChI
InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3
InChIKey
OELWBYBVFOLSTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitroso-N-pentyl-1-pentanamine
CAS: 13256-06-9
CID: 252237
Formula: C10H22N2O
MW: 186.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.29
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass186.173213330
Monoisotopic Mass186.173213330
Topological Polar Surface Area32.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity107
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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