5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid

Modify Date: 2025-09-18 17:37:11

5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid structure	Common Name	5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid
	CAS Number	92700-02-2	Molecular Weight	334.23800
	Density	1.247g/cm3	Boiling Point	517.7ºC at 760 mmHg
	Molecular Formula	C₁₅H₂₁Cl₂NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	266.9ºC

Name	5-[4-[bis(2-chloroethyl)amino]phenoxy]pentanoic acid
Synonym	More Synonyms

Density	1.247g/cm3
Boiling Point	517.7ºC at 760 mmHg
Molecular Formula	C₁₅H₂₁Cl₂NO₃
Molecular Weight	334.23800
Flash Point	266.9ºC
Exact Mass	333.09000
PSA	49.77000
LogP	3.60430
Index of Refraction	1.557
InChIKey	BVLNFTAVPDUETK-UHFFFAOYSA-N
SMILES	O=C(O)CCCCOc1ccc(N(CCCl)CCCl)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV6191250

CHEMICAL NAME :: Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-

CAS REGISTRY NUMBER :: 92700-02-2

BEILSTEIN REFERENCE NO. :: 3403648

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H21-Cl2-N-O3

MOLECULAR WEIGHT :: 334.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 16 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 5,192,1960

methyl 5-(4-nitrophenoxy)valerate structure

methyl 5-(4-nit...

CAS#:130198-71-9

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5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid Structure

5-(p-(Bis(2-chl...

CAS#:92700-02-2

Literature: Valu, Kisione K.; Gourdie, Trudi A.; Boritzki, Theodore J.; Gravatt, G. Lance; Baguley, Bruce C.; et al. Journal of Medicinal Chemistry, 1990 , vol. 33, # 11 p. 3014 - 3019

5-(4-amino-phenoxy)-valeric acid methyl ester structure

5-(4-amino-phen...

CAS#:130198-74-2

~%

5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid Structure

5-(p-(Bis(2-chl...

CAS#:92700-02-2

Literature: Davis et al. Journal of the Chemical Society, 1955 , p. 890,894

methyl 5-(4-(bis(2-hydroxyethyl)amino)phenoxy)pentanoate structure

methyl 5-(4-(bi...

CAS#:130198-75-3

~%

5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid Structure

5-(p-(Bis(2-chl...

CAS#:92700-02-2

Literature: Valu, Kisione K.; Gourdie, Trudi A.; Boritzki, Theodore J.; Gravatt, G. Lance; Baguley, Bruce C.; et al. Journal of Medicinal Chemistry, 1990 , vol. 33, # 11 p. 3014 - 3019

N/A structure

N/A

CAS#:857479-99-3

~%

5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid Structure

5-(p-(Bis(2-chl...

CAS#:92700-02-2

Literature: Valu, Kisione K.; Gourdie, Trudi A.; Boritzki, Theodore J.; Gravatt, G. Lance; Baguley, Bruce C.; et al. Journal of Medicinal Chemistry, 1990 , vol. 33, # 11 p. 3014 - 3019

Precursor 1
CAS#:130198-71-9 methyl 5-(4-nit...
DownStream 1
CAS#:130031-47-9 N-(4-(4-(Bis(2-...

Pentanoic acid,5-(4-(bis(2-chloroethyl)amino)phenoxy)

5-{4-[bis-(2-chloro-ethyl)-amino]-phenoxy}-valeric acid

CB 1378

Valeric acid,5-(p-(bis(2-chloroethyl)amino)phenoxy)

5-{4-[Bis-(2-chlor-aethyl)-amino]-phenoxy}-valeriansaeure

5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid

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