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N-Nitrosodi-N-Propylamine

CAT: 0127-OR1027045-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1027045-01Size:1 g
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CAS Number
621-64-7
Synonyms
N, N-dipropylnitrous amide
Purity
98%
Smiles
CCCN(CCC)N=O

Chemical Information

N-Nitrosodipropylamine

N-Nitrosodi-n-propylamine can cause cancer according to an independent committee of scientific and health experts.

CAS Number621-64-7
PubChem CID12130
IUPAC NameN,N-dipropylnitrous amide
Molecular FormulaC6H14N2O
Molecular Weight130.19
XLogP1.4
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity69
SMILES
CCCN(CCC)N=O
InChI
InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
InChIKey
YLKFDHTUAUWZPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrosodipropylamine
CAS: 621-64-7
CID: 12130
Formula: C6H14N2O
MW: 130.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.19
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.110613074
Monoisotopic Mass130.110613074
Topological Polar Surface Area32.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity69.5
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

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GTR19254907-01N-nitrosodi-n-propylamine
S-2835N-Nitrosodi-n-propylamine - 1ML
RENIT005Nitrosamine Std N-Nitrosodi-n-propylamine 1000ug/mL in DCM - 1ML
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