2,2-Dimethylpentanedinitrile

CAT: 0127-OR1073494-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1073494-02Size:100 mg

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CAS Number

22247-63-8

MDL Number

MFCD21185315

Purity

95%

Smiles

N#CC(C)(C)CCC#N

Chemical Information

2,2-Dimethylpentanedinitrile

CAS Number	22247-63-8
PubChem CID	19809777
IUPAC Name	2,2-dimethylpentanedinitrile
Molecular Formula	C7H10N2
Molecular Weight	122.17
XLogP	0.9
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	174

SMILES

CC(C)(CCC#N)C#N

InChI

InChI=1S/C7H10N2/c1-7(2,6-9)4-3-5-8/h3-4H2,1-2H3

InChIKey

YTAGXUZOUXMDHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22247-63-8

CID: 19809777

Formula: C7H10N2

MW: 122.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.17
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	122.084398327
Monoisotopic Mass	122.084398327
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	174
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

Catalog	Name
OR939158	2,2-Dimethylpentanenitrile
OR941434	2-Amino-2,4-dimethylpentanenitrile
OR1050333-01	4,4-Dimethylpentanenitrile
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene

Catalog	Name
XAA24763-01	2,2-Dimethylpentanedinitrile
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
290343-01	2,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
MBS6024187-01	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
AR-B06674-01	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) Benzoate
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
BLG-H038-001	2′,2”,2”’,2””,2””’,2”””-Hexa-F-c-hexadAMP
IXB41367-01	(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine
414645	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol