L-Alanine, 3-[[[4-[bis (2-chloroethyl)amino]phenyl]methyl]sulfonyl]

Modify Date: 2025-08-22 17:39:04

L-Alanine, 3-[[[4-[bis (2-chloroethyl)amino]phenyl]methyl]sulfonyl] Structure
L-Alanine, 3-[[[4-[bis (2-chloroethyl)amino]phenyl]methyl]sulfonyl] structure
Common Name L-Alanine, 3-[[[4-[bis (2-chloroethyl)amino]phenyl]methyl]sulfonyl]
CAS Number 6940-98-3 Molecular Weight 383.29100
Density 1.426g/cm3 Boiling Point 637.4ºC at 760 mmHg
Molecular Formula C14H20Cl2N2O4S Melting Point N/A
MSDS N/A Flash Point 339.3ºC

 Names

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

 Chemical & Physical Properties

Density 1.426g/cm3
Boiling Point 637.4ºC at 760 mmHg
Molecular Formula C14H20Cl2N2O4S
Molecular Weight 383.29100
Flash Point 339.3ºC
Exact Mass 382.05200
PSA 109.08000
LogP 3.07840
Index of Refraction 1.595
InChIKey YDMMNUBREJUGOU-UHFFFAOYSA-N
SMILES NC(CS(=O)(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY3278000
CHEMICAL NAME :
Alanine, beta-(p-(bis(2-chloroethyl)amino)benzylsulfonyl)-, L-
CAS REGISTRY NUMBER :
6940-98-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H20-Cl2-N2-O4-S
MOLECULAR WEIGHT :
383.32
WISWESSER LINE NOTATION :
QVYZ1SW1R DN2G2G -L

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5600 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00684

 Safety Information

HS Code 2922499990

 Precursor & DownStream

Precursor  2

DownStream  0

 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-p-Bis(2-chloroethyl)amino benzylsulfonyl-L-alanine
L-Alanine,3-[[[4-[bis(2-chloroethyl)amino]phenyl]methyl]sulfonyl]
3-(4-<Bis-(2-chlor-aethyl)-amino>-benzylsulfonyl)-L-alanin
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