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Home> Hot Product Listed P   > Propanoic acid,2-(dimethyltricyclo[3.3.1.13,7]dec-1-ylgermyl)-
27532-96-3 structure

Propanoic acid,2-(dimethyltricyclo[3.3.1.13,7]dec-1-ylgermyl)-

Iupac Name:tert-butyl 2-aminoacetate;hydrochloride
CAS No.:27532-96-3
Molecular Weight:167.633
Molecular Formula:C19H30 (isomer)
Names and Identifiers
Synonyms

2-(Adamantyldimethylgermanyl)propionic acid Propanoicacid, 2-[dimethyltricyclo[3.3.1.13,7]dec-1-ylgermyl]- (9CI)

Inchi
InChI=1S/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H
InChkey
OSWULUXZFOQIRU-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)CN.Cl
Properties
Density
1.499
Melting Point
138-142℃
Boiling Point
290.3°C at 760 mmHg
Vapour
0.026mmHg at 25°C
Refractive Index
1.522
Flash Point
978.1°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:167.633g/mol
  • Molecular Formula:C19H30
  • Compound Is Canonicalized:True
  • Exact Mass:167.071
  • Monoisotopic Mass:167.071
  • Complexity:104
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.3A^2
  • Heavy Atom Count:10
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADETBgAQCCABABAAI AACQCAAAAAAAAAAAAICAAAACAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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