CAS
94134-26-6 Purity
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94134-26-6 Purity
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![2,2'-[Methylenebis[4-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]-2,1-phenylene]bis(oxymethylene)]bisoxirane](https://resource.alfa-chemistry.com/structure/94134-27-7.gif)
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3,5,5-Trimethylhexyl nitrite
CAS
94134-31-3
Catalog Number
ACM94134313
Category
Other Products
Molecular Weight
173.252660 [g/mol]
Molecular Formula
C9H19NO2
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Specification
Synonyms
3,5,5-Trimethylhexyl nitrite, EINECS 302-799-4, CID6366450, 94134-31-3
IUPAC Name
3,5,5-trimethylhexyl nitrite
Canonical SMILES
CC(CCON=O)CC(C)(C)C
InChI Key
NXTWZLMLGHRVHV-UHFFFAOYSA-N
Boiling Point
185.1ºC at 760mmHg
Flash Point
43.8ºC
Density
0.92g/cm³
EC Number
302-799-4
Exact Mass
173.14200
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3,5,5-Trimethylhexyl nitrite?
The molecular formula of 3,5,5-Trimethylhexyl nitrite is C9H19NO2.
What is the molecular weight of 3,5,5-Trimethylhexyl nitrite?
The molecular weight of 3,5,5-Trimethylhexyl nitrite is 173.25 g/mol.
What is the IUPAC name of 3,5,5-Trimethylhexyl nitrite?
The IUPAC name of 3,5,5-Trimethylhexyl nitrite is 3,5,5-trimethylhexyl nitrite.
What is the InChI of 3,5,5-Trimethylhexyl nitrite?
The InChI of 3,5,5-Trimethylhexyl nitrite is InChI=1S/C9H19NO2/c1-8(5-6-12-10-11)7-9(2,3)4/h8H,5-7H2,1-4H3.
What is the InChIKey of 3,5,5-Trimethylhexyl nitrite?
The InChIKey of 3,5,5-Trimethylhexyl nitrite is NXTWZLMLGHRVHV-UHFFFAOYSA-N.
What is the canonical SMILES of 3,5,5-Trimethylhexyl nitrite?
The canonical SMILES of 3,5,5-Trimethylhexyl nitrite is CC(CCON=O)CC(C)(C)C.
What is the CAS number of 3,5,5-Trimethylhexyl nitrite?
The CAS number of 3,5,5-Trimethylhexyl nitrite is 94134-31-3.
What is the European Community (EC) number of 3,5,5-Trimethylhexyl nitrite?
The European Community (EC) number of 3,5,5-Trimethylhexyl nitrite is 302-799-4.
What is the hydrogen bond donor count of 3,5,5-Trimethylhexyl nitrite?
The hydrogen bond donor count of 3,5,5-Trimethylhexyl nitrite is 0.
What is the rotatable bond count of 3,5,5-Trimethylhexyl nitrite?
The rotatable bond count of 3,5,5-Trimethylhexyl nitrite is 5.
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