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Home> Hot Product Listed T   > T6780514
130290-79-8 structure

T6780514

Iupac Name:oxan-4-ylmethanamine
CAS No.:130290-79-8
Molecular Weight:115.176
Molecular Formula:C18H21NO3S (isomer)
Names and Identifiers
Synonyms

MCULE-4806904468 MOLPORT-009-092-562 n-[1-(2-methylphenyl)propan-2-yl]-3-(2-oxoimidazolidin-1-yl)benzamide Z757026036

Inchi
InChI=1S/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
InChkey
IPBPLHNLRKRLPJ-UHFFFAOYSA-N
Canonical Smiles
C1COCCC1CN
Properties
Vapour
0.912mmHg at 25°C
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
IRRITANT
PackingGroup
Transport
2735
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 130290-79-8 EC: T6780514 ·ECHA C&L Inventory for CAS: CAS: 130290-79-8 EC: T6780514
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

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:115.176g/mol
  • Molecular Formula:C18H21NO3S
  • Compound Is Canonicalized:True
  • Exact Mass:115.1
  • Monoisotopic Mass:115.1
  • Complexity:59.5
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:8
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBiIAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQAAAADQDhgAYAAABABAAA AAAAAAAAAAAAAAAAAIAAAAAAAAIAgAACAAAEEAAAAACgAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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