Product Name

  • Name

    (1S,7aS)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol hydrochloride (1:1)

  • EINECS
  • CAS No. 875-22-9
  • Density 1.29g/cm3
  • Solubility
  • Melting Point
  • Formula C8H13NO2•ClH
  • Boiling Point 291.3°Cat760mmHg
  • Molecular Weight 191.68
  • Flash Point 161.4°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal and subcutaneous routes. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 875-22-9 ((1S,7aS)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol hydrochloride (1:1))
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Retronecine hydrochloride Chemical Properties

Molecule structure of Retronecine hydrochloride (CAS NO.875-22-9):

IUPAC Name: (1R,8R)-7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol hydrochloride 
Molecular Weight: 191.65526 g/mol
Molecular Formula: C8H14ClNO2 
Boiling Point: 291.3 °C at 760 mmHg
Flash Point: 161.4 °C
Enthalpy of Vaporization: 61.59 kJ/mol
Vapour Pressure: 0.000211 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 191.071306
MonoIsotopic Mass: 191.071306
Topological Polar Surface Area: 43.7
Heavy Atom Count: 12 
Complexity: 191
Defined Atom StereoCenter Count: 2
Canonical SMILES: C1CN2CC=C(C2C1O)CO.Cl
Isomeric SMILES: C1CN2CC=C([C@@H]2[C@@H]1O)CO.Cl
InChI: InChI=1S/C8H13NO2.ClH/c10-5-6-1-3-9-4-2-7(11)8(6)9;/h1,7-8,10-11H,2-5H2;1H/t7-,8-;/m1./s1
InChIKey of Retronecine hydrochloride (CAS NO.875-22-9): QGUOKYVLQIMEEC-SCLLHFNJSA-N

Retronecine hydrochloride Toxicity Data With Reference

1.    

ipr-rat LDLo:600 mg/kg

     NATUAS    Nature. 185 (1960),842.
2.    

scu-rat LDLo:1000 mg/kg

     JNCIAM    Journal of the National Cancer Institute. 49 (1972),665.

Retronecine hydrochloride Safety Profile

Moderately toxic by intraperitoneal and subcutaneous routes. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NOx and HCl.

Retronecine hydrochloride Specification

 Retronecine hydrochloride (CAS NO.875-22-9) is also named as AI3-50525 ; NSC 30618 ; NSC 41156 ; Retronecine HCl ; 1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, hydrochloride, (1R-trans)- (9CI) .

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