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N-Nitrosodiisopropylamine

CAT: 0572-TRC-N525600-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N525600-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
601-77-4
Synonyms
2-Propanamine, N-(1-methylethyl)-N-nitroso-; Diethylamine, 1,1'-dimethyl-N-nitroso- (6CI,7CI,8CI); N-(1-Methylethyl)-N-nitroso-2-propanamine; Diisopropyl-N-nitrosamine; Diisopropylnitrosamine; N-Nitrodiisopropylamine; N-Nitrosodiisopropylamine; NSC 336; Nitrosodiisopropylamine; NDIPA; DIPNA; NDPA
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)N(N=O)C(C)C
Molecular Formula
C6 H14 N2 O
Molecular Weight
130.188
InChI
InChI=1S/C6H14N2O/c1-5(2)8(7-9)6(3)4/h5-6H,1-4H3
Additionnal Information
IUPAC name: N,N-di(propan-2-yl)nitrous amide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Nitrosodiisopropylamine
CAS Number601-77-4
PubChem CID11758
IUPAC NameN,N-di(propan-2-yl)nitrous amide
Molecular FormulaC6H14N2O
Molecular Weight130.19
XLogP1.4
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
CC(C)N(C(C)C)N=O
InChI
InChI=1S/C6H14N2O/c1-5(2)8(7-9)6(3)4/h5-6H,1-4H3
InChIKey
AUIKJTGFPFLMFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrosodiisopropylamine
CAS: 601-77-4
CID: 11758
Formula: C6H14N2O
MW: 130.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.19
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass130.110613074
Monoisotopic Mass130.110613074
Topological Polar Surface Area32.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity83.1
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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