Basic information
- CAS
31386-35-3- Standard SMILES
CCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
XTWPHUBWNUSDMY-UHFFFAOYSA-N- Molecular formula
- C14H19Cl2NO2
- Average molar mass
- 304.2 g/mol
- Monoisotopic mass
- 303.0792842
Names & identifiers
- Preferred name
- Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate
- IUPAC
- ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Names & synonyms
31386-35-3VHU25AVB6ZEthyl-N,N-di-2-chloroethyl-p-aminophenylacetateEthyl (p-(bis(2-chloroethyl)amino)phenyl)acetateDTXSID10185312Acetic acid, (p-(bis(2-chloroethyl)amino)phenyl)-, ethyl esterBenzeneacetic acid, 4-(bis(2-chloroethyl)amino)-, ethyl esterAcetic acid, (p-(bis(2-chloroethyl)amino)phenyl)-, ethyl ester (8CI)RefChem:593157DTXCID20107803Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-, ethyl ester (9CI)Ethyl 2-(4-(bis(2-chloroethyl)amino)phenyl)acetate
Show more names
ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetateNSC116785UNII-VHU25AVB6ZCHEMBL3247527Ethyl {4-[bis(2-chloroethyl)amino]phenyl}acetate
Database identifiers
- CAS
31386-35-3- PubChem CID
- 97346
- DTXSID
DTXSID10185312- ChEMBL
CHEMBL3247527- UNII
- VHU25AVB6Z
- EC Number
- 975-679-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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