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Home> Hot Product Listed C   > CHEMBRDG-BB 5547128
125078-15-1 structure

CHEMBRDG-BB 5547128

Iupac Name:[(1S)-2,2-dimethyl-1-phosphonatopropyl]azanium
CAS No.:125078-15-1
Molecular Weight:166.135381
Molecular Formula:C9H14O (isomer)
Names and Identifiers
Synonyms

(2-methoxy-1-methyl-ethyl)-(3,4,5-trimethoxy-benzyl)-amine (2-methoxy-1-methylethyl)(3,4,5-trimethoxybenzyl)amine (2-methoxy-isopropyl)[(3,4,5-trimethoxyphenyl)methyl]amine 1-methoxy-n-(3,4,5-trimethoxybenzyl)propan-2-amine acm356092665 AK-97813 AKOS000230686 AKOS017273231 BAS 01124911 DTXSID10386049 MCULE-9418182961 MOLPORT-001-504-998 OPREA1_016723 OPREA1_553184 OR262107 ST45157941 ST50703475 W-8353

Inchi
InChI=1/C5H14NO3P/c1-5(2,3)4(6)10(7,8)9/h4H,6H2,1-3H3,(H2,7,8,9)/p-1/t4-/m0/s1
Canonical Smiles
CC(C)(C)C([NH3+])P(=O)([O-])[O-]
Isomers Smiles
CC(C)(C)[C@@H]([NH3+])P(=O)([O-])[O-]
Properties
Melting Point
245-252 °C
Vapour
0.00019mmHg at 25°C
Flash Point
146.8°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:166.135381g/mol
  • Molecular Formula:C9H14O
  • Exact Mass:166.063305
  • Monoisotopic Mass:166.063305
  • Complexity:145
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:90.8
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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