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N-Benzyl-2-(cyclohex-2-en-1-yl)acetamide structure
N-Benzyl-2-(cyclohex-2-en-1-yl)acetamide structure

N-Benzyl-2-(cyclohex-2-en-1-yl)acetamide

Iupac Name:(1-hydroxy-1-phosphonoethyl)phosphonic acid
CAS No.:2809-21-4
Molecular Weight:206.027
1. Names and Identifiers
1.1 Name
N-Benzyl-2-(cyclohex-2-en-1-yl)acetamide
1.2 Synonyms

138090-79-6 2-Cyclohexene-1-acetamide, N-(phenylmethyl)- ACMC-20mx55 CTK0B8708 DTXSID80561922 N-Benzyl-2-(cyclohex-2-en-1-yl)acetamide N-Benzyl-2-cyclohexene-1-acetamide

1.3 CAS No.
2809-21-4
1.4 CID
3305
1.5 Molecular Formula
C10H11F2N (isomer)
1.6 Inchi
InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
1.7 InChkey
DBVJJBKOTRCVKF-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(O)(P(=O)(O)O)P(=O)(O)O
1.9 Isomers Smiles
CC(O)(P(=O)(O)O)P(=O)(O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
198~199℃
3.2 Vapour
8.34E-16mmHg at 25°C
4. Safety and Handling
4.1 Risk Statements
37/38-41
4.2 Safety Statements
S26;S39
4.3 HazardClass
8
4.3 PackingGroup
II
4.4 Transport
UN 3265
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H290 May be corrosive to metals

H302 Harmful if swallowed

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

Response

P390 Absorb spillage to prevent material damage.

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:206.027g/mol
  • Molecular Formula:C10H11F2N
  • Compound Is Canonicalized:True
  • Exact Mass:205.975
  • Monoisotopic Mass:205.975
  • Complexity:211
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:135A^2
  • Heavy Atom Count:11
  • 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: AAADccBAOAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGggACCAAAACAgAACAAAAAhAA QAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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