sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 2-Methyl-2-nitropropane

2-Methyl-2-nitropropane

CAS No.:
594-70-7
Catalog Number:
AG003HLY
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$55
- +
5g
95%
In Stock USA
United States
$74
- +
25g
95%
In Stock USA
United States
$263
- +
100g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG003HLY
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
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  
Literature
Title Journal
Photodissociation dynamics of 2-nitropropane and 2-methyl-2-nitropropane at 248 and 193 nm. The journal of physical chemistry. A 20081211
N-[2-(2-Methoxyphenyl)benzylidene]-tert-butyl-amine N-oxide. Acta crystallographica. Section E, Structure reports online 20080601
Gas-phase ion-molecule reactions of small nitroalkanes and their deprotonated anions. European journal of mass spectrometry (Chichester, England) 20040101
Properties