N-(1-adamantyl)-2-chloroacetamide

Modify Date: 2024-01-02 17:33:32

N-(1-adamantyl)-2-chloroacetamide structure	Common Name	N-(1-adamantyl)-2-chloroacetamide
	CAS Number	5689-59-8	Molecular Weight	227.73000
	Density	1.2g/cm3	Boiling Point	385.3ºC at 760mmHg
	Molecular Formula	C₁₂H₁₈ClNO	Melting Point	120-121ºC
	MSDS	N/A	Flash Point	186.8ºC

Name	N-(1-adamantyl)-2-chloroacetamide

Density	1.2g/cm3
Boiling Point	385.3ºC at 760mmHg
Melting Point	120-121ºC
Molecular Formula	C₁₂H₁₈ClNO
Molecular Weight	227.73000
Flash Point	186.8ºC
Exact Mass	227.10800
PSA	29.10000
LogP	2.70110
Index of Refraction	1.547

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AB4309000

CHEMICAL NAME :: Acetamide, N-(1-adamantyl)-2-chloro-

CAS REGISTRY NUMBER :: 5689-59-8

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H18-Cl-N-O

MOLECULAR WEIGHT :: 227.76

WISWESSER LINE NOTATION :: L66 B6/B-H/DI A B- C 1B ITJ BMV1G

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 :: 760 mg/kg

TOXIC EFFECTS :: Behavioral - rigidity (including catalepsy) Behavioral - antipsychotic

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 14,185,1980

Hazard Codes	Xi
HS Code	2924299090

Adamantan-1-ol

CAS#:768-95-6

N-(1-adamantyl)...

CAS#:5689-59-8

Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 18, p. 867 - 871 Zhurnal Organicheskoi Khimii, , vol. 18, # 5 p. 1001 - 1005

Adamantan-1-amine

CAS#:768-94-5

Chloroacetyl ch...

CAS#:79-04-9

~92%

N-(1-adamantyl)...

CAS#:5689-59-8

Literature: Giordanetto, Fabrizio; Knerr, Laurent; Selmi, Nidhal; Llins, Antonio; Lindqvist, Anders; Wang, Qing-Dong; Sthlberg, Pernilla; Thorstensson, Fredrik; Ullah, Victoria; Nilsson, Kristina; O'Mahony, Gavin; Hoegberg, Got; Lindhardt, Emma; Strand, Annika; Duker, Goeran Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 18 p. 5557 - 5561

Adamantan-1-ol

CAS#:768-95-6

2-chloroacetonitrile

CAS#:107-14-2

~98%

N-(1-adamantyl)...

CAS#:5689-59-8

Literature: HEXAL AG Patent: WO2007/96124 A1, 2007 ; Location in patent: Page/Page column 14 ;

Chloroiodomethane

CAS#:593-71-5

1-Adamantyl iso...

CAS#:4411-25-0

~95%

N-(1-adamantyl)...

CAS#:5689-59-8

Literature: Pace, Vittorio; Castoldi, Laura; Holzer, Wolfgang Chemical Communications, 2013 , vol. 49, # 75 p. 8383 - 8385

1-Adamantanamin...

CAS#:665-66-7

Chloroacetyl ch...

CAS#:79-04-9

~96%

N-(1-adamantyl)...

CAS#:5689-59-8

Literature: Onajole, Oluseye K.; Govender, Patrick; Helden, Paul D. van; Kruger, Hendrik G.; Maguire, Glenn E.M.; Wiid, Ian; Govender, Thavendran European Journal of Medicinal Chemistry, 2010 , vol. 45, # 5 p. 2075 - 2079

Adamantan-1-ol

CAS#:768-95-6

2-Chloroacetamide

CAS#:79-07-2

~79%

N-(1-adamantyl)...

CAS#:5689-59-8

Literature: Shokova; Musulu, Tasula; Luzikov; Kovalev Russian Journal of Organic Chemistry, 1999 , vol. 35, # 6 p. 844 - 856

Precursor 8
CAS#:768-94-5 Adamantan-1-amine CAS#:79-04-9 Chloroacetyl ch... CAS#:768-95-6 Adamantan-1-ol CAS#:107-14-2 2-chloroacetonitrile
CAS#:593-71-5 Chloroiodomethane CAS#:4411-25-0 1-Adamantyl iso... CAS#:665-66-7 1-Adamantanamin... CAS#:79-07-2 2-Chloroacetamide
DownStream 3
CAS#:37818-93-2 N-(Adamantan-1-... CAS#:768-94-5 Adamantan-1-amine CAS#:53783-83-8 Tromantadine

HS Code	2924299090
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-(1-adamantyl)-2-chloroacetamide

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs