(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one

Modify Date: 2024-01-05 16:34:35

(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one Structure
(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one structure
Common Name (6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one
CAS Number 125-58-6 Molecular Weight 309.44500
Density 1.009g/cm3 Boiling Point 423.7ºC at 760mmHg
Molecular Formula C21H27NO Melting Point 99-100ºC
MSDS N/A Flash Point 126.5ºC

 Names

Name (6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.009g/cm3
Boiling Point 423.7ºC at 760mmHg
Melting Point 99-100ºC
Molecular Formula C21H27NO
Molecular Weight 309.44500
Flash Point 126.5ºC
Exact Mass 309.20900
PSA 20.31000
LogP 4.29200
Vapour Pressure 2.2E-07mmHg at 25°C
Index of Refraction 1.538

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ5990000
CHEMICAL NAME :
3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, L-
CAS REGISTRY NUMBER :
125-58-6
BEILSTEIN REFERENCE NO. :
3213668
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C21-H27-N-O
MOLECULAR WEIGHT :
309.49
WISWESSER LINE NOTATION :
2VXR&R&1Y1&N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
97 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
26500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1600 ug/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - other effects on male

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Rodent - rat Testis
DOSE/DURATION :
50 umol/L
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 27,123,1978

 Safety Information

HS Code 2922399090

 Synthetic Route

~%

(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one Structure

(6R)-6-(dimethy...

CAS#:125-58-6

Literature: Justus Liebigs Annalen der Chemie, , vol. 561, p. 52,76 Journal of Organic Chemistry, , vol. 13, p. 191 Journal of the American Chemical Society, , vol. 70, p. 4194 Journal of the American Chemical Society, , vol. 71, p. 2935

~%

(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one Structure

(6R)-6-(dimethy...

CAS#:125-58-6

Literature: Justus Liebigs Annalen der Chemie, , vol. 561, p. 52,76

~%

(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one Structure

(6R)-6-(dimethy...

CAS#:125-58-6

Literature: Journal of the Chemical Society, , p. 648,651

~%

(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one Structure

(6R)-6-(dimethy...

CAS#:125-58-6

Literature: Journal of the Chemical Society, , p. 648,651

 Customs

HS Code 2922399090
Summary 2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

Levothyl
Levadone
l-Polamivet
Polamivet
l-methadone
L-Polamidon
Levomethadone