Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > SCHEMBL6033129
103404-81-5 structure

SCHEMBL6033129

Iupac Name:1H-indol-3-yl dihydrogen phosphate;4-methylaniline
CAS No.:103404-81-5
Molecular Weight:427.441
Molecular Formula:C14H20N2O (isomer)
Names and Identifiers
Synonyms

(2r)-2-amino-6-(2,2,2-trifluoroacetamido)hexanoic acid A1-00292 d-lysine, n6-(trifluoroacetyl)- epsilon-tfa-d-lysine fch3669347 mfcd00037223 n(6)-(trifluoroacetyl)-d-lysine n(6)-trifluoroacetyl-d-lysine n(epsilon)-trifluoroacetyl-d-lysine n6-(trifluoroacetyl)-d-lysine n6-trifluoroaccety-d-lysine n-epsilon-trifluoroacetyl-d-lysine nepsilon-trifluoroacetyl-d-lysine ZINC6292525

Inchi
InChI=1S/C8H8NO4P.2C7H9N/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;2*1-6-2-4-7(8)5-3-6/h1-5,9H,(H2,10,11,12);2*2-5H,8H2,1H3
InChkey
XHZKVTVWYFYQQD-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)N.CC1=CC=C(C=C1)N.C1=CC=C2C(=C1)C(=CN2)OP(=O)(O)O
Properties
Melting Point
143-145°C
Safety and Handling
Risk Statements
R40
Safety Statements
22-36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 103404-81-5 EC: SCHEMBL6033129 ·ECHA C&L Inventory for CAS: CAS: 103404-81-5 EC: SCHEMBL6033129
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:427.441g/mol
  • Molecular Formula:C14H20N2O
  • Compound Is Canonicalized:True
  • Exact Mass:427.166
  • Monoisotopic Mass:427.166
  • Complexity:317
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:135A^2
  • Heavy Atom Count:30
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADceB7OAIAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCCAADAzBngQ+xvLJkRCg QzRnRISCgCAxYiAI2aA/bJgKJuLAkZOEMAhm0BnYyAeQwKAOCAAAAAACAAAQAAAAAAQAAAAAAAAA AA==
Recommended Suppliers
  • Tel:(416) 665-9696, 800-727-9240
  • Fax:
 
<