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ethyl 1-(pyridin-3-ylmethyl)piperidine-4-carboxylate structure
ethyl 1-(pyridin-3-ylmethyl)piperidine-4-carboxylate structure

ethyl 1-(pyridin-3-ylmethyl)piperidine-4-carboxylate

Iupac Name:9H-fluorene-9-carboxylic acid
CAS No.:1989-33-9
Molecular Weight:210.232
1. Names and Identifiers
1.1 Name
ethyl 1-(pyridin-3-ylmethyl)piperidine-4-carboxylate
1.2 Synonyms

1',3',3'-trimethyl-8-nitro-1',3'-dihydrospiro[chromene-2,2'-indole] 1',3',3'-Trimethyl-8-nitrospiro(2H-1-benzopyran-2,2'-indoline) 1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole] 1,3,3-Trimethyl-8'-nitrospiro[indoline-2,2'-[2H-1]benzopyran] 1,3,3-TRIMETHYLSPIRO-8-NITRO(2H-1-BEN-ZOPYRAN-2,2-INDOLINE) 1',3'-Dihydro-1',3',3'-trimethyl-8-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) 1',3'-dihydro-1',3',3'-trimethyl-8-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole] 11,13,13-trimethyl-8-nitrospiro[2H-chromene-2,2'-indoline] ACM5150505 AKOS001590278 CCG-237416 CTK8D7706 DTXSID30276039 DTXSID90884134 EINECS 225-923-8 MCULE-1891893193 NS00045958 Oprea1_702703 Oprea1_717088 SBB009044 Spiro(2H-1-benzopyran-2,2'-(2H)indole), 1',3'-dihydro-1',3',3'-trimethyl-8-nitro- Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-8-nitro- SR-01000391123 SR-01000391123-1 ST50307605 STL326995

1.3 CAS No.
1989-33-9
1.4 CID
74809
1.5 Inchi
InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)
1.6 InChkey
DNVJGJUGFFYUPT-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
1.8 Isomers Smiles
C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
2. Properties
3.1 Melting point
227-232℃
3.1 Refractive index
1.5681 (estimate)
3.1 Flash Point
110.5°C
3.1 Vapour pressure
0.000192mmHg at 25°C
3.1 Precise Quality
210.06800
3.1 PSA
37.30000
3.1 logP
2.88350
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S22;S24/25
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Computational chemical data
  • Molecular Weight:210.232g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:210.068079557
  • Monoisotopic Mass:210.068079557
  • Complexity:265
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:16
  • 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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