2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID

Modify Date: 2025-08-24 08:12:23

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure
2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID structure
Common Name 2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID
CAS Number 531-76-0 Molecular Weight 305.20000
Density 1.32g/cm3 Boiling Point 473.1ºC at 760mmHg
Molecular Formula C13H18Cl2N2O2 Melting Point 182-183ºC (decomp)
MSDS N/A Flash Point 239.9ºC

 Names

Name 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.32g/cm3
Boiling Point 473.1ºC at 760mmHg
Melting Point 182-183ºC (decomp)
Molecular Formula C13H18Cl2N2O2
Molecular Weight 305.20000
Flash Point 239.9ºC
Exact Mass 304.07500
PSA 66.56000
LogP 2.62530

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY3600000
CHEMICAL NAME :
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, DL-
CAS REGISTRY NUMBER :
531-76-0
LAST UPDATED :
199604
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C13-H18-Cl2-N2-O2
MOLECULAR WEIGHT :
305.23
WISWESSER LINE NOTATION :
QVYZ1R DN2G2G -DL

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
105 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Nutritional and Gross Metabolic - weight loss or decreased weight gain Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18 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 :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 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 :
Intracerebral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 ug/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 :
26 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
98 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
8 mg/kg
SEX/DURATION :
female 6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
8 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
8 mg/kg
SEX/DURATION :
female 4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
5 mg/kg
SEX/DURATION :
female 6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Microorganism - not otherwise specified
DOSE/DURATION :
10 mmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 23,5,1974 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 9,167,1975 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 9,167,1975 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

 Safety Information

HS Code 2922499990

 Synthetic Route

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2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: Sen, A.K.; Mukhopadhyay, Sankardeb Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 939 - 941

~%

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: Sen, A.K.; Mukhopadhyay, Sankardeb Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 939 - 941

~%

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: Sen, A.K.; Mukhopadhyay, Sankardeb Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 939 - 941

~%

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: McCasland et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1568

~%

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: Ferrari Farmaco, Edizione Scientifica, 1956 , vol. 11, p. 524,527

~%

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: Bergel; Stock Journal of the Chemical Society, 1954 , p. 2409,2414 Journal of the Chemical Society, 1959 , p. 90,93 Full Text Show Details Ferrari Farmaco, Edizione Scientifica, 1956 , vol. 11, p. 524,527

~%

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: Bergel; Stock Journal of the Chemical Society, 1954 , p. 2409,2414 Journal of the Chemical Society, 1959 , p. 90,93 Full Text Show Details Chough Seoul Univ. J.Chem.Abstr., 1959 , vol. 8, p. 335,355 Seoul Univ. J.Chem.Abstr., 1960 , p. 13129

~%

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: Sen, A.K.; Mukhopadhyay, Sankardeb Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 939 - 941

~%

2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID Structure

2-AMINO-3-(4-(B...

CAS#:531-76-0

Literature: Ferrari Farmaco, Edizione Scientifica, 1956 , vol. 11, p. 524,527

 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

Merphalan
Sarcolysinum
D-Sarcolysin
D-Sarcolysine
Sarcolysin
Mephalan
Sarcoclorin
Sarkolysin
Sarcolysine
Medfalan
Merfalan
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