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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Adhesives and Sealants  /  Alcohol & Hydroxybenzene & Ether  /  Pharmaceutical  /  Organic Intermediate
6,7,8,9-tetrahydro- structure
6,7,8,9-tetrahydro- structure

6,7,8,9-tetrahydro-

Iupac Name:acetamide
CAS No.:60-35-5
Molecular Weight:59.07
1. Names and Identifiers
1.1 Name
6,7,8,9-tetrahydro-
1.2 CAS No.
60-35-5
1.3 CID
178
1.4 Molecular Formula
C6H16NO2 (isomer)
1.5 Inchi
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
1.6 InChkey
DLFVBJFMPXGRIB-UHFFFAOYSA-N
1.7 Canonical Smiles
CC(=O)N
1.8 Isomers Smiles
CC(=O)N
2. Properties
3.1 Melting point
78-80 °C(lit.)
3.1 Refractive index
1.4274
3.1 Vapour pressure
1 mm Hg ( 65 °C)
3.1 Precise Quality
59.03710
3.1 PSA
43.09000
3.1 logP
0.19190
3. Safety and Handling
4.1 Symbol
GHS08
4.1 Signal Word
Warning
4.1 Risk Statements
40
4.1 Safety Statements
36/37
4.1 Hazard Declaration
H351
4.1 RIDADR
UN 3077 9/PG 3
4.1 Caution Statement
P281
4.1 WGK Germany
1
4.1 RTECS
AB4025000
4. 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

5. Computational chemical data
  • Molecular Weight:59.07g/mol
  • Molecular Formula:C6H16NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.9
  • Exact Mass:59.037113783
  • Monoisotopic Mass:59.037113783
  • Complexity:33
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:43.1
  • Heavy Atom Count:4
  • 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
6. Question & Answer
  • You can consider this in the following way. If amide undergoes protonation, it forms a positively charged nitrogen atom next to the strong electron-withdrawing group. This destabilises the molecule, so most probably it will not act as a base. Instead, it will act as a moderate acid with a strong ba...
  • This answer explains why acetic acid does not give a positive iodoform test. Does acetamide respond positively to the test?
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