N, N-Dibutylnitrous Amide (Ndba)

CAT: 1299-RG-D090202-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-D090202-01Size:10 mg

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CAS Number

924-16-3

Synonyms

N, N-dibutylnitrous amide

Molecular Formula

C8H18N2O

Molecular Weight

158.24

Target Alternative Name

N-Nitroso-Di-N-Butylamine

Product Name Synonym

N, N-dibutylnitrous amide

Chemical Information

N-Nitrosodibutylamine

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

CAS Number	924-16-3
PubChem CID	13542
IUPAC Name	N,N-dibutylnitrous amide
Molecular Formula	C8H18N2O
Molecular Weight	158.24
XLogP	2.6
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	88

SMILES

CCCCN(CCCC)N=O

InChI

InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3

InChIKey

YGJHZCLPZAZIHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 924-16-3

CID: 13542

Formula: C8H18N2O

MW: 158.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.24
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	158.141913202
Monoisotopic Mass	158.141913202
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	88.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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RG-E140687-01	N-benzyl-N-hydroxynitrous amide

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