4,4-Dimethylpentanenitrile

CAT: 0127-OR1050333-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1050333-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

15673-05-9

MDL Number

MFCD14676595

Purity

95%

Smiles

CC(C)(C)CCC#N

Chemical Information

4,4-Dimethylpentanenitrile

CAS Number	15673-05-9
PubChem CID	12656145
IUPAC Name	4,4-dimethylpentanenitrile
Molecular Formula	C7H13N
Molecular Weight	111.18
XLogP	2
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	99

SMILES

CC(C)(C)CCC#N

InChI

InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h4-5H2,1-3H3

InChIKey

VXVUDUCBEZFQGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15673-05-9

CID: 12656145

Formula: C7H13N

MW: 111.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	111.18
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	111.104799419
Monoisotopic Mass	111.104799419
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	99.3
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
OR941434	2-Amino-2,4-dimethylpentanenitrile
OR939158	2,2-Dimethylpentanenitrile
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid

Catalog	Name
ABA25268-01	5-Hydroxy-4,4-dimethylpentanenitrile
PCC91582-01	5-Amino-4,4-dimethylpentanenitrile
XED69415-01	4,4-Difluoro-3,3-dimethylpentanenitrile
AQ A3 0164-01	2-tert-butyl-2-hydroxy-4,4-dimethylpentanenitrile
UND37991-01	5-Methoxy-3,3-dimethylpentanenitrile
GCA47544	5-Iodo-2,2-dimethylpentanenitrile
EAA20754-01	5-Chloro-2,2-dimethylpentanenitrile
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide