CAS
923156-23-4 Purity
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923156-23-4 Purity
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4-[4-[Bis(2-chloroethyl)amino]phenoxy]butanoic acid
CAS
92318-13-3
Catalog Number
ACM92318133
Category
Other Products
Molecular Weight
320.212 g/mol
Molecular Formula
C14H19Cl2NO3
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Specification
Synonyms
CB 1365, CID56382, BRN 2873561, LS-47871, 4-(p-(Bis(2-chloroethyl)amino)phenoxy)butyric acid, 4-13-00-01049 (Beilstein Handbook Reference), BUTYRIC ACID, 4-(p-(BIS(2-CHLOROETHYL)AMINO)PHENOXY)-, 92318-13-3
IUPAC Name
4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid
InChI Key
TYQMDPHMWGNQLJ-UHFFFAOYSA-N
Boiling Point
514.8ºC at 760mmHg
Flash Point
265.1ºC
Density
1.273g/cm³
Exact Mass
319.07400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 56382?
The molecular formula is C14H19Cl2NO3.
What is the molecular weight of the compound?
The molecular weight is 320.2 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C14H19Cl2NO3/c15-7-9-17(10-8-16)12-3-5-13(6-4-12)20-11-1-2-14(18)19/h3-6H,1-2,7-11H2,(H,18,19).
What is the InChIKey of the compound?
The InChIKey is TYQMDPHMWGNQLJ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC(=CC=C1N(CCCl)CCCl)OCCCC(=O)O.
What is the CAS number of the compound?
The CAS number is 92318-13-3.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 49.8 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
923156-44-9 Purity
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923156-44-9 Purity
96%
