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| Name |
Retronecine hydrochloride |
EINECS | N/A |
| CAS No. | 875-22-9 | Density | 1.29g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H13NO2•ClH | Boiling Point | 291.3°Cat760mmHg |
| Molecular Weight | 191.68 | Flash Point | 161.4°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
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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