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Home> Encyclopedia >   /  Mineral  /  Inorganic Chemicals  /  Oxide  /  Others  /  Vitamins, Amino Acids and Coenzymes
CID 137702088 structure
CID 137702088 structure

CID 137702088

Iupac Name:2-[bis(2-nitrooxyethyl)amino]ethyl nitrate
CAS No.:1302-78-9
Molecular Weight:360.313756
1. Names and Identifiers
1.1 Name
CID 137702088
1.2 Synonyms

2060021-40-9 4-[(2-Bromophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1.3 CAS No.
1302-78-9
1.4 CID
11499
1.5 Molecular Formula
C13H18N2O (isomer)
1.6 Inchi
InChI=1S/C6H12N4O9/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16/h1-6H2
1.7 InChkey
HWKQNAWCHQMZHK-UHFFFAOYSA-N
1.8 Canonical Smiles
C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-]
1.9 Isomers Smiles
C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-]
2. Properties
2.1 Melting Point
>1200 °C
2.2 Vapour
4.93E-06mmHg at 25°C
2.3 Refractive Index
1.503
3. Safety and Handling
3.1 Risk Statements
R20/22;R8
3.2 Safety Statements
S22;S24/25
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:360.313756g/mol
  • Molecular Formula:C13H18N2O
  • Exact Mass:359.825409
  • Monoisotopic Mass:359.825409
  • Complexity:52.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:181
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:6
7. Question & Answer
  • History Bentonite is an absorbent aluminium phyllosilicate clay consisting mostly of montmorillonite. The term Bentonite was first used for a clay found in about 1890 in upper cretaceous tuff near Fort Benton, Wyoming. The main constituent, which is the determinant factor in the clay's properti...
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