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Home> Hot Product Listed P   > Phosphoramidic acid,monoethyl ester
83-88-5 structure

Phosphoramidic acid,monoethyl ester

Iupac Name:7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
CAS No.:83-88-5
Molecular Weight:376.369
Molecular Formula:C10H8CL2N6 (isomer)
Names and Identifiers
Synonyms

AC1L4HVP AC1Q6S7V amidophosphoric acid hydrogen ethyl ester AR-1I9750 CTK5B1310 DTXSID40209070 ethoxyphosphonamidic acid ethyl hydrogen phosphoramidate SCHEMBL10285180

Inchi
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
InChkey
AUNGANRZJHBGPY-SCRDCRAPSA-N
Canonical Smiles
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
Isomers Smiles
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
Properties
Melting Point
280 deg C (decomposes)
Boiling Point
467.8°C at 760 mmHg
Refractive Index
1.733
Flash Point
206.7°C
Alpha
-135 o (C=5, 0.05 M NAOH)
HS Code
29362300
Safety and Handling
Risk Statements
11-23/24/25-39/23/24/25
Safety Statements
S24/25
Transport
25kgs
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
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

Computational chemical data
  • Molecular Weight:376.369g/mol
  • Molecular Formula:C10H8CL2N6
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.5
  • Exact Mass:376.138
  • Monoisotopic Mass:376.138
  • Complexity:680
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:155A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgAQCAAADBzhmAYzwIPAAgCo AydydACCAAEhAgABiAEodIiLcCrA2ZGUYAhnhSLZyAfwkIIOiAAAQAAQACAQAACAACAAQAAAAAAA AA==
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