Home Nitro Compounds 594-70-7
594-70-7,MFCD00007393
Catalog No.:AA003HJ6
594-70-7 | 2-Methyl-2-nitropropane
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1g
98%(GC)
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5g
95%
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25g
95%
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100g
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HJ6
Chemical Name:
2-Methyl-2-nitropropane
CAS Number:
594-70-7
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
MDL Number:
MFCD00007393
IUPAC Name:
2-methyl-2-nitropropane
InChI:
InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3
InChI Key:
AIMREYQYBFBEGQ-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])(C)C
EC Number:
209-851-4
UNII:
9DKH5L679Z
NSC Number:
3651
Properties
Computed Properties
 
Complexity:
76.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.063g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
103.121g/mol
Monoisotopic Mass:
103.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
2-METHYL-2-NITROPROPANE 
594-70-7 
UNII-9DKH5L679Z 
CCRIS 5044 
NSC 3651 
EINECS 209-851-4 
MFCD00007393 
9DKH5L679Z 
2-Methyl-2-nitropropane, 99% 
AIMREYQYBFBEGQ-UHFFFAOYSA-N 
FR-1020 
NSC3651 
2-Nitroisobutane 
tert-BuNO2 
tBuNO2 
t-BuNO2 
1,1-dimethylnitroethane 
AC1L1XVC 
ACMC-1ARW7 
Propane,2-methyl-2-nitro- 
(CH3)3CNO2 
SCHEMBL1122744 
DTXSID0060488 
Propane, 2-methyl-2-nitro- 
CTK5B0007 
NSC-3651 
ZINC1666930 
ANW-33273 
AKOS015963348 
FCH1117910 
AN-46249 
BC215812 
CC-11310 
CJ-27012 
Trimethylnitromethane 
DB-053396 
LS-188162 
TC-122018 
FT-0612923 
M1241 
A832334 
C-31005 
S14-1104 
InChI=1/C4H9NO2/c1-4(2,3)5(6)7/h1-3H 
tert-Butyl nitrite 
Nitro-tert-butane 
C4H9NO2 
C4-H9-N-O2 
CID11672 
540-80-7 
2-Nitro-2-methylpropane 
tert-Nitrobutane 
1,1-Dimethyl-1-nitroethane 
2-methyl-2-nitro-propane 
Literature

Title: Photodissociation dynamics of 2-nitropropane and 2-methyl-2-nitropropane at 248 and 193 nm.

Journal: The journal of physical chemistry. A 20081211

Title: N-[2-(2-Methoxyphenyl)benzylidene]-tert-butyl-amine N-oxide.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

Title: Gas-phase ion-molecule reactions of small nitroalkanes and their deprotonated anions.

Journal: European journal of mass spectrometry (Chichester, England) 20040101

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