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4-Piperidinemethanol, 3-fluoro-, hydrochloride (1:1) structure
4-Piperidinemethanol, 3-fluoro-, hydrochloride (1:1) structure

4-Piperidinemethanol, 3-fluoro-, hydrochloride (1:1)

Iupac Name:2-methylidenebutanedioic acid
CAS No.:97-65-4
Molecular Weight:130.09874
1. Names and Identifiers
1.1 Name
4-Piperidinemethanol, 3-fluoro-, hydrochloride (1:1)
1.2 CAS No.
97-65-4
1.3 CID
811
1.4 Inchi
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
1.5 InChkey
LVHBHZANLOWSRM-UHFFFAOYSA-N
1.6 Canonical Smiles
C=C(CC(=O)O)C(=O)O
1.7 Isomers Smiles
C=C(CC(=O)O)C(=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
166-167℃
3.2 Refractive Index
1.4980 (estimate)
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S26;S36
4.3 Transport
无资料?
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

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

Response

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

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:130.09874g/mol
  • Molecular Formula:
  • Exact Mass:130.026609
  • Monoisotopic Mass:130.026609
  • Complexity:158
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6
  • Heavy Atom Count:9
  • 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
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