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N-Bis(2-hydroxypropyl)nitrosamine

CAT: 0607-A9045-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A9045-25Size:25 mg
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CAS Number
53609-64-6
Product Name Alternative
N,N-bis(2-hydroxypropyl)nitrous amide
Sequence
Di(2-hydroxypropyl)nitrosamine; Diisopropanolnitrosamine
Purity
0.98
Solubility
Soluble in DMSO
Smiles
OC(C)CN(CC(C)O)N=O
Molecular Formula
C6H14N2O3
Molecular Weight
162.19
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-Bis(2-hydroxypropyl)nitrosamine

N,N-bis(2-hydroxypropyl)nitrosamine is a nitrosamine that is dipropylamine in which the hydrogen attached to the nitrogen has been replaced by a nitroso group. It is a genotoxic carcinogen, targeting the lung, liver, thyroid, and kidney. It has a role as a carcinogenic agent. It is a diol, a secondary alcohol and a nitrosamine.

CAS Number53609-64-6
PubChem CID40828
IUPAC NameN,N-bis(2-hydroxypropyl)nitrous amide
Molecular FormulaC6H14N2O3
Molecular Weight162.19
XLogP-0.3
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity110
SMILES
CC(CN(CC(C)O)N=O)O
InChI
InChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKey
MNIGYIKCFSPQRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Bis(2-hydroxypropyl)nitrosamine
CAS: 53609-64-6
CID: 40828
Formula: C6H14N2O3
MW: 162.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.19
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass162.10044231
Monoisotopic Mass162.10044231
Topological Polar Surface Area73.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP11836-01N-Bis (2-hydroxypropyl) nitrosamine
MBS3615698-01N-Bis(2-hydroxypropyl)nitrosamine
MBS387949-01N-Bis (2-hydroxypropyl)nitrosamine
A13614-200N-Bis (2-hydroxypropyl) nitrosamine 200mg
A13614-25N-Bis (2-hydroxypropyl) nitrosamine 25mg
A13614-10N-Bis (2-hydroxypropyl) nitrosamine 10mg
HY-112085R-01N-Bis (2-hydroxypropyl) nitrosamine (Standard)
A13614-50N-Bis (2-hydroxypropyl) nitrosamine 50mg
A13614-100N-Bis (2-hydroxypropyl) nitrosamine 100mg
A13614-10mM-DN-Bis (2-hydroxypropyl) nitrosamine 10mM * 1mL in DMSO

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