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Home> Hot Product Listed Z   > Z408847516
101827-46-7 structure

Z408847516

Iupac Name:1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
CAS No.:101827-46-7
Molecular Weight:353.934
Molecular Formula:C11H7CLFNO2S (isomer)
Names and Identifiers
Synonyms

MCULE-9106943661 n-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-(1h-indol-3-yl)propanamide ZINC46755712

Inchi
InChI=1S/C23H27N.ClH/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20;/h5-15H,16-17H2,1-4H3;1H
InChkey
LJBSAUIFGPSHCN-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl
Properties
Melting Point
210-214℃
Vapour
1.82E-07mmHg at 25°C
Safety and Handling
Risk Statements
21
Safety Statements
44
Hazard Note
H312
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 101827-46-7 EC: Z408847516 ·ECHA C&L Inventory for CAS: CAS: 101827-46-7 EC: Z408847516
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H312 Harmful in contact with skin

Precautionary statement(s)
Prevention

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

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:353.934g/mol
  • Molecular Formula:C11H7CLFNO2S
  • Compound Is Canonicalized:True
  • Exact Mass:353.191
  • Monoisotopic Mass:353.191
  • Complexity:374
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2A^2
  • Heavy Atom Count:25
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceB6AAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHAAAAAAADgDBGAQyAMMAAACA AiBCAACCAAAgAAAIiAAIBIgIICKAkRGEIAhggACIiAcQgMAPwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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