2-chloroethyl 4-[bis(2-chloroethyl)amino]phenylbutyrate (CAS 94236-91-6) — formula C16H22Cl3NO2, molecular weight 366.7; category organic chemicals.
| CAS Number | 94236-91-6 |
|---|---|
| Molecular Formula | C16H22Cl3NO2 |
| Molecular Weight | 366.7 |
| LogP | 2.6 |
| Category | Organic Chemicals |
2-chloroethyl 4-[bis(2-chloroethyl)amino]phenylbutyrate is a carbon-based organic compound with CAS registry number 94236-91-6 and molecular formula C16H22Cl3NO2 (molecular weight 366.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94236-91-6
Its molecular formula C16H22Cl3NO2 comprises 16 C, 22 H, 3 Cl, 1 N, 2 O atoms.
Also known as: 2-chloroethyl 4-[bis(2-chloroethyl)amino]phenylbutyrate · 苯丁酸氮芥EP杂质D
Category: organic chemicals
The CAS registry number of 2-chloroethyl 4-[bis(2-chloroethyl)amino]phenylbutyrate is 94236-91-6.
Molecular formula C16H22Cl3NO2, molecular weight 366.7.
It is also registered under: 2-chloroethyl 4-[bis(2-chloroethyl)amino]phenylbutyrate, 苯丁酸氮芥EP杂质D.
Category: Organic Chemicals.
Independent reference data for 2-chloroethyl 4-[bis(2-chloroethyl)amino]phenylbutyrate (CAS 94236-91-6), compiled from public chemistry databases.
| CAS 号 | 94236-91-6 |
|---|---|
| PubChem CID | 76959209 |
| 分子式 | C16H22Cl3NO2 |
| IUPAC 名称 | 2-chloroethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate |
| UNII（FDA） | KI3JYQ5ELG |
| Molecular Weight | 366.7 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 12 |
| Exact Mass | 365.071612 |
| Monoisotopic Mass | 365.071612 |
| Topological Polar Surface Area | 29.5 |
| Heavy Atom Count | 22 |
94236-91-6; Chlorambucil chloroethyl ester; Chlorambucil EP Impurity D; KI3JYQ5ELG; Chlorambucil 2-Chloroethyl Ester; UNII-KI3JYQ5ELG; 2-chloroethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate; EINECS 304-088-4; 2-CHLOROETHYL 4-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)BUTANOATE; 2-Chloroethyl 4-(bis(2-chloroethyl)amino)phenylbutyrate; 2-CHLOROETHYL 4-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}BUTANOATE; Chlorambucil2-ChloroethylEster; DUPWPMRXQCYAKW-UHFFFAOYSA-N; DTXSID501196946; CHLORAMBUCIL IMPURITY D [EP IMPURITY]; Q27282263
苯丁酸氮芥EP杂质D · CAS 94236-91-6 · C16H22Cl3NO2. UNII KI3JYQ5ELG.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯丁酸氮芥EP杂质D