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Home> Encyclopedia >   /  Silicate  /  Others  /  Inorganic Salts  /  Other Inorganic Chemicals  /  Other Inorganic Salts
SNS-062 structure
SNS-062 structure

SNS-062

Iupac Name:zirconium(4+);silicate
CAS No.:10101-52-7
Molecular Weight:183.305
1. Names and Identifiers
1.1 Name
SNS-062
1.2 Synonyms

Acetamide, 2-[(3-chlorophenyl)amino]-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidinyl]- BTK IN-1 (SNS062 ANALOG) CS-2777 N-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)-2-((3-chlorophenyl)amino)acetamide SNS-062 SNS062 analog

1.3 CAS No.
10101-52-7
1.4 CID
61775
1.5 Molecular Formula
C20H13N5O2 (isomer)
1.6 Inchi
InChI=1S/O4Si.Zr/c1-5(2,3)4;/q-4;+4
1.7 InChkey
GFQYVLUOOAAOGM-UHFFFAOYSA-N
1.8 Canonical Smiles
[O-][Si]([O-])([O-])[O-].[Zr+4]
1.9 Isomers Smiles
[O-][Si]([O-])([O-])[O-].[Zr+4]
2. Properties
3.1 Melting point
2550oC
3.1 Refractive index
1.78-1.99
3.1 Precise Quality
181.86100
3.1 PSA
92.24000
3.1 logP
-0.85600
3.1 pKa
13.93±0.50(Predicted)
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
R20;R36/37/38
4.1 Safety Statements
S26;S36
4.1 Hazard Declaration
H315-H319-H332-H335
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P261-P305 + P351 + P338
4.1 WGK Germany
3
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:183.305g/mol
  • Molecular Formula:C20H13N5O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:181.861284
  • Monoisotopic Mass:181.861284
  • Complexity:19.1
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:92.2
  • Heavy Atom Count:6
  • 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:2
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