3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Modify Date: 2025-08-27 11:09:37

3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Structure
3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid structure
Common Name 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
CAS Number 6746-11-8 Molecular Weight 290.18600
Density 1.277g/cm3 Boiling Point 447ºC at 760 mmHg
Molecular Formula C13H17Cl2NO2 Melting Point N/A
MSDS N/A Flash Point 224.1ºC

 Names

Name p-N,N-Di(2-chloroethyl)aminophenylpropionic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.277g/cm3
Boiling Point 447ºC at 760 mmHg
Molecular Formula C13H17Cl2NO2
Molecular Weight 290.18600
Flash Point 224.1ºC
Exact Mass 289.06400
PSA 40.54000
LogP 2.98780
Index of Refraction 1.576
InChIKey CXUFBRINAAJGEB-UHFFFAOYSA-N
SMILES O=C(O)CCc1ccc(N(CCCl)CCCl)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5095000
CHEMICAL NAME :
Hydrocinnamic acid, p-(bis(2-chloroethyl)amino)-
CAS REGISTRY NUMBER :
6746-11-8
BEILSTEIN REFERENCE NO. :
3059603
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H17-Cl2-N-O2
MOLECULAR WEIGHT :
290.21
WISWESSER LINE NOTATION :
QV2R DN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
10 mmol/L
REFERENCE :
ANYAA9 Annals of the New York Academy of Sciences. (New York Academy of Sciences, 2 E. 63rd St., New York, NY 10021) V.1- 1877- Volume(issue)/page/year: 160,228,1969

 Safety Information

HS Code 2922499990

 Synthetic Route

~100%

3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Structure

3-[4-[bis(2-chl...

CAS#:6746-11-8

Literature: Khunnawutmanotham, Nisachon; Chimnoi, Nitirat; Champathong, Wattanachai; Lerdsirisuk, Pradit; Khotmor, Theeraphon; Techasakul, Supanna Journal of Chemical Research, 2012 , vol. 36, # 6 p. 374 - 378

~%

3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Structure

3-[4-[bis(2-chl...

CAS#:6746-11-8

Literature: Khunnawutmanotham, Nisachon; Chimnoi, Nitirat; Champathong, Wattanachai; Lerdsirisuk, Pradit; Khotmor, Theeraphon; Techasakul, Supanna Journal of Chemical Research, 2012 , vol. 36, # 6 p. 374 - 378

~%

3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Structure

3-[4-[bis(2-chl...

CAS#:6746-11-8

Literature: Khunnawutmanotham, Nisachon; Chimnoi, Nitirat; Champathong, Wattanachai; Lerdsirisuk, Pradit; Khotmor, Theeraphon; Techasakul, Supanna Journal of Chemical Research, 2012 , vol. 36, # 6 p. 374 - 378

~%

3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Structure

3-[4-[bis(2-chl...

CAS#:6746-11-8

Literature: Khunnawutmanotham, Nisachon; Chimnoi, Nitirat; Champathong, Wattanachai; Lerdsirisuk, Pradit; Khotmor, Theeraphon; Techasakul, Supanna Journal of Chemical Research, 2012 , vol. 36, # 6 p. 374 - 378

~%

3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Structure

3-[4-[bis(2-chl...

CAS#:6746-11-8

Literature: Everett et al. Journal of the Chemical Society, 1953 , p. 2386,2387

~%

3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Structure

3-[4-[bis(2-chl...

CAS#:6746-11-8

Literature: Everett et al. Journal of the Chemical Society, 1953 , p. 2386,2387

 Customs

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-[4-[N,N-Bis(2-chloroethyl)amino]phenyl]propionic acid
3-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-propionic acid
3-{4-[Bis-(2-chlor-aethyl)-amino]-phenyl}-propionsaeure
p-[bis(2-chloroethyl)amino]-b-phenylpropionic acid
3-[(4-N,N-bis(2-chloroethyl)amino)phenyl]propanoic acid
p-[Bis(2-chloroethyl)amino]hydrocinnamic acid
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