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Details

Stereochemistry ACHIRAL
Molecular Formula C15H21Cl2NO3
Molecular Weight 334.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[4-[Bis(2-chloroethyl)amino]phenoxy]pentanoic acid

SMILES

OC(=O)CCCCOC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChIKey=BVLNFTAVPDUETK-UHFFFAOYSA-N
InChI=1S/C15H21Cl2NO3/c16-8-10-18(11-9-17)13-4-6-14(7-5-13)21-12-2-1-3-15(19)20/h4-7H,1-3,8-12H2,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H21Cl2NO3
Molecular Weight 334.238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:29:03 GMT 2023
Edited
by admin
on Sat Dec 16 19:29:03 GMT 2023
Record UNII
2JH9AL6FB2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-[4-[Bis(2-chloroethyl)amino]phenoxy]pentanoic acid
Systematic Name English
NSC-260458
Code English
Pentanoic acid, 5-[4-[bis(2-chloroethyl)amino]phenoxy]-
Systematic Name English
Valeric acid, 5-[p-[bis(2-chloroethyl)amino]phenoxy]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00239116
Created by admin on Sat Dec 16 19:29:03 GMT 2023 , Edited by admin on Sat Dec 16 19:29:03 GMT 2023
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FDA UNII
2JH9AL6FB2
Created by admin on Sat Dec 16 19:29:03 GMT 2023 , Edited by admin on Sat Dec 16 19:29:03 GMT 2023
PRIMARY
CAS
92700-02-2
Created by admin on Sat Dec 16 19:29:03 GMT 2023 , Edited by admin on Sat Dec 16 19:29:03 GMT 2023
PRIMARY
PUBCHEM
99656
Created by admin on Sat Dec 16 19:29:03 GMT 2023 , Edited by admin on Sat Dec 16 19:29:03 GMT 2023
PRIMARY
NSC
260458
Created by admin on Sat Dec 16 19:29:03 GMT 2023 , Edited by admin on Sat Dec 16 19:29:03 GMT 2023
PRIMARY