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Home> Hot Product Listed P   > PNZ-L-ALANINE
51-98-9 structure

PNZ-L-ALANINE

Iupac Name:[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,
12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS No.:51-98-9
Molecular Weight:340.45592
Molecular Formula:C12H17NO2 (isomer)
Names and Identifiers
Synonyms

PNZ - ALANINE

Inchi
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1
InChkey
IMONTRJLAWHYGT-UHFFFAOYSA-N
Canonical Smiles
CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C
Isomers Smiles
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C
Properties
Refractive Index
-34 ° (C=1, Dioxane)
Flash Point
82.6°C
Safety and Handling
Risk Statements
R40;R48
Safety Statements
S36/37
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 51-98-9 EC: PNZ-L-ALANINE ·ECHA C&L Inventory for CAS: CAS: 51-98-9 EC: PNZ-L-ALANINE
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:340.45592g/mol
  • Molecular Formula:C12H17NO2
  • XLogP3-AA:3.5
  • Exact Mass:340.203845
  • Monoisotopic Mass:340.203845
  • Complexity:695
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:6
  • 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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