Benzenebutanal,4-[bis(2-chloroethyl)amino]

Modify Date: 2025-08-28 11:18:51

Benzenebutanal,4-[bis(2-chloroethyl)amino] Structure
Benzenebutanal,4-[bis(2-chloroethyl)amino] structure
Common Name Benzenebutanal,4-[bis(2-chloroethyl)amino]
CAS Number 64977-05-5 Molecular Weight 288.21300
Density 1.169g/cm3 Boiling Point 423.2ºC at 760mmHg
Molecular Formula C14H19Cl2NO Melting Point N/A
MSDS N/A Flash Point 209.7ºC

 Names

Name 4-[4-[bis(2-chloroethyl)amino]phenyl]butanal

 Chemical & Physical Properties

Density 1.169g/cm3
Boiling Point 423.2ºC at 760mmHg
Molecular Formula C14H19Cl2NO
Molecular Weight 288.21300
Flash Point 209.7ºC
Exact Mass 287.08400
PSA 20.31000
LogP 3.49220
Index of Refraction 1.55
InChIKey HUIZMVVIRCIOPG-UHFFFAOYSA-N
SMILES O=CCCCc1ccc(N(CCCl)CCCl)cc1

 Synthetic Route

~72%

Benzenebutanal,4-[bis(2-chloroethyl)amino] Structure

Benzenebutanal,...

CAS#:64977-05-5

Literature: WISCONSIN ALUMNI RESEARCH FOUNDATION Patent: US2012/94946 A1, 2012 ; Location in patent: Page/Page column 18 ;

~71%

Benzenebutanal,4-[bis(2-chloroethyl)amino] Structure

Benzenebutanal,...

CAS#:64977-05-5

Literature: Auckland Division Cancer Society of New Zealand Inc.; Circadian Pharmaceuticals (Australia) Pty. Ltd. Patent: US5968933 A1, 1999 ;

~%

Benzenebutanal,4-[bis(2-chloroethyl)amino] Structure

Benzenebutanal,...

CAS#:64977-05-5

Literature: Gravatt; Baguley; Wilson; Denny Journal of Medicinal Chemistry, 1994 , vol. 37, # 25 p. 4338 - 4345

 Precursor & DownStream

Precursor  1

DownStream  0

 Bioassay

View more

Name: Antitumor activity against mouse P388 cells allografted in mouse assessed as dose req...
Source: ChEMBL
Target: P388
External Id: CHEMBL3256988
Name: Antitumor activity against mouse P388 cells allografted in mouse assessed as dose req...
Source: ChEMBL
Target: P388
External Id: CHEMBL3256991
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