1-Pyrrolidinebutanal, a-(2-methylpropyl)-a-1-naphthalenyl-

Modify Date: 2024-04-04 00:07:09

1-Pyrrolidinebutanal, a-(2-methylpropyl)-a-1-naphthalenyl- Structure
1-Pyrrolidinebutanal, a-(2-methylpropyl)-a-1-naphthalenyl- structure
Common Name 1-Pyrrolidinebutanal, a-(2-methylpropyl)-a-1-naphthalenyl-
CAS Number 30120-85-5 Molecular Weight 323.47200
Density 1.044g/cm3 Boiling Point 477.6ºC at 760 mmHg
Molecular Formula C22H29NO Melting Point N/A
MSDS N/A Flash Point 176.8ºC

 Names

Name 4-methyl-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentanal
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.044g/cm3
Boiling Point 477.6ºC at 760 mmHg
Molecular Formula C22H29NO
Molecular Weight 323.47200
Flash Point 176.8ºC
Exact Mass 323.22500
PSA 20.31000
LogP 4.74640
Index of Refraction 1.566
InChIKey PJJULRDQKDDAAD-UHFFFAOYSA-N
SMILES CC(C)CC(C=O)(CCN1CCCC1)c1cccc2ccccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QJ0571500
CHEMICAL NAME :
1-Naphthaleneacetaldehyde, alpha-isobutyl-alpha-(2-pyrrolidinoethyl)-
CAS REGISTRY NUMBER :
30120-85-5
LAST UPDATED :
199107
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H29-N-O
MOLECULAR WEIGHT :
323.52
WISWESSER LINE NOTATION :
L66J BXVH1Y1&1&2- AT5NTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1089,1970

 Synonyms

4-methyl-2-(1-naphthyl)-2-[2-(pyrrolidin-1-yl)ethyl]pentanal
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